terlipressin CDK 0223171740 null 86 89 0 0 0 0 0 0 0 0999 V2000 4.1434 1.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 0.6746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9388 0.6324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 -0.2589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1866 -2.1699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 -2.2121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4966 -0.3432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8397 1.2707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6135 2.3748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0443 1.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0913 3.5874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3768 5.6499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3768 7.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 -0.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3365 0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 1.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3473 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7342 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1758 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5735 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7012 0.2510 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5297 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7450 -0.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7889 -1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5843 -2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7997 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8436 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0589 -4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -3.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 -2.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9712 -1.9150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4128 -3.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 -1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1536 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 -2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5951 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4236 -4.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6390 -4.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1974 -3.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5405 -1.4051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9382 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4528 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8943 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6790 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2921 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1205 -1.7444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0767 -0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2813 -0.0883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2374 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7958 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9674 3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3543 3.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7520 3.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0112 2.0777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5696 3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8289 2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4858 0.5059 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4420 1.5678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0004 2.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3768 3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3768 2.3499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7094 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9643 1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7893 1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 3.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3768 4.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5202 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 5.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 4.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0913 4.4124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2347 7.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5202 6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 4.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9479 7.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 15 3 1 0 0 0 0 18 4 1 0 0 0 0 21 5 1 0 0 0 0 24 6 1 0 0 0 0 29 7 1 0 0 0 0 40 8 1 0 0 0 0 50 9 1 0 0 0 0 58 10 1 0 0 0 0 65 11 1 0 0 0 0 70 12 1 0 0 0 0 76 13 1 0 0 0 0 84 14 1 0 0 0 0 25 66 1 0 0 0 0 2 16 1 0 0 0 0 16 15 1 0 0 0 0 15 17 2 0 0 0 0 3 19 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 4 22 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 27 5 1 1 0 0 0 27 26 1 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 24 28 2 0 0 0 0 38 6 1 6 0 0 0 38 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 31 37 1 0 0 0 0 38 29 1 0 0 0 0 29 39 2 0 0 0 0 48 7 1 6 0 0 0 48 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 42 47 1 0 0 0 0 48 40 1 0 0 0 0 40 49 2 0 0 0 0 56 8 1 6 0 0 0 56 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 56 50 1 0 0 0 0 50 57 2 0 0 0 0 63 9 1 6 0 0 0 63 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 63 58 1 0 0 0 0 58 64 2 0 0 0 0 68 10 1 1 0 0 0 68 67 1 0 0 0 0 67 66 1 0 0 0 0 68 65 1 0 0 0 0 65 69 2 0 0 0 0 75 70 2 0 0 0 0 71 70 1 1 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 11 1 0 0 0 0 71 11 1 0 0 0 0 81 82 1 0 0 0 0 82 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 12 1 6 0 0 0 80 76 1 0 0 0 0 76 83 2 0 0 0 0 13 85 1 0 0 0 0 85 84 1 0 0 0 0 84 86 2 0 0 0 0 M END > CHEBI:135905 > terlipressin > 2 > Triglycyl-8-lysine-vasopressin; remestyp; glypressin; glycylpressin > C52H74N16O15S2 > 1227.376 > 1226.49610 > 0 > [H]NCC(NCC(NCC(N[C@H]1CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)C(N4CCC[C@H]4C(N[C@@H](CCCCN)C(NCC(N)=O)=O)=O)=O)=O)=O)=O > InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 > BENFXAYNYRLAIU-QSVFAHTRSA-N > 14636-12-5 $$$$