Marvin 10241115412D 111113 0 0 0 0 999 V2000 5.7378 -2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 -3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8812 -3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3102 -3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -2.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -4.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 -3.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -4.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 -4.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -4.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8812 -4.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -4.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -5.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 -4.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 -4.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -2.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 -3.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -4.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 -4.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -2.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 -3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 -4.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 -2.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -4.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -2.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -3.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4062 -4.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -4.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4058 -2.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 -3.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8812 -6.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -7.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 -6.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -5.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1666 -5.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8811 -5.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 -5.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 -5.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 -7.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 -6.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -5.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 -5.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -7.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -6.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -5.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -5.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 -7.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -6.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 -5.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -5.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 -7.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7372 -6.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -5.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 -5.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 -7.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -6.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -5.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 -5.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -7.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 -6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -7.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8812 -8.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1585 -7.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4525 -8.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 -7.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 -8.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -8.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 -8.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 -8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4522 -8.0973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -8.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 -8.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -8.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -9.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1136 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 -9.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -8.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -9.4909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -7.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 -7.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 -8.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4771 -7.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 -3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4501 -2.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1612 -3.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8792 -3.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5900 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3080 -3.0158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0189 -3.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7251 -4.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0118 -4.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7369 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4876 -3.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8302 -2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0449 -2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6387 -2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8646 -2.8550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.3554 -2.1918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.1938 -3.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4360 -4.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0072 -4.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 1 9 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 10 1 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 9 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 36 35 1 0 0 0 0 36 34 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 42 43 1 0 0 0 0 43 16 1 0 0 0 0 42 41 1 0 0 0 0 44 41 1 0 0 0 0 45 44 1 0 0 0 0 46 40 1 0 0 0 0 47 46 1 0 0 0 0 48 45 1 0 0 0 0 49 48 1 0 0 0 0 50 47 1 0 0 0 0 51 50 1 0 0 0 0 52 49 1 0 0 0 0 53 52 1 0 0 0 0 54 51 1 0 0 0 0 55 54 1 0 0 0 0 56 53 1 0 0 0 0 57 56 1 0 0 0 0 58 55 1 0 0 0 0 59 58 1 0 0 0 0 60 57 1 0 0 0 0 61 60 1 0 0 0 0 62 59 1 0 0 0 0 63 62 1 0 0 0 0 64 61 1 0 0 0 0 65 64 1 0 0 0 0 66 63 1 0 0 0 0 67 65 1 0 0 0 0 67 66 1 0 0 0 0 39 68 1 0 0 0 0 68 69 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 79 83 2 0 0 0 0 85 84 1 0 0 0 0 86 84 2 0 0 0 0 88 86 1 0 0 0 0 88 87 1 0 0 0 0 82 84 1 0 0 0 0 89 85 1 0 0 0 0 87 85 2 0 0 0 0 90 89 2 0 0 0 0 91 87 1 0 0 0 0 92 90 1 0 0 0 0 92 91 2 0 0 0 0 94 93 1 0 0 0 0 95 94 1 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 93100 1 0 0 0 0 99101 2 0 0 0 0 103102 1 0 0 0 0 104102 2 0 0 0 0 105103 1 0 0 0 0 106104 1 0 0 0 0 106105 2 0 0 0 0 99102 1 0 0 0 0 108107 1 0 0 0 0 109107 2 0 0 0 0 105107 1 0 0 0 0 100110 2 0 0 0 0 100111 1 0 0 0 0 93 7 1 0 0 0 0 M CHG 2 107 1 108 -1 M END > CHEBI:63098 > N-{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl}-80-(indol-3-yl)-77-oxo-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73-tetracosaoxa-76-azaoctacontan-1-amide > A polyether that consists of a poly(ethylene glycol) chain with an indol-3-yl-butanamido group at one end and a multifunctionalised alkyl group, in turn containing nitrofuran and amido moieties, at the other. > 3 > N-{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl}-80-(1H-indol-3-yl)-77-oxo-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73-tetracosaoxa-76-azaoctacontan-1-amide > C74H128N6O31 > 1597.82970 > 1596.86240 > 0 > NC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12 > InChI=1S/C74H128N6O31/c75-73(83)68(9-3-4-14-77-74(84)69-11-12-72(111-69)80(85)86)79-71(82)13-16-87-18-20-89-22-24-91-26-28-93-30-32-95-34-36-97-38-40-99-42-44-101-46-48-103-50-52-105-54-56-107-58-60-109-62-63-110-61-59-108-57-55-106-53-51-104-49-47-102-45-43-100-41-39-98-37-35-96-33-31-94-29-27-92-25-23-90-21-19-88-17-15-76-70(81)10-5-6-65-64-78-67-8-2-1-7-66(65)67/h1-2,7-8,11-12,64,68,78H,3-6,9-10,13-63H2,(H2,75,83)(H,76,81)(H,77,84)(H,79,82) > PSAYQUYDLXHOFL-UHFFFAOYSA-N > 21944756 $$$$