Ketcher 09251716152D 1 1.00000 0.00000 0 33 33 0 1 0 999 V2000 8.9187 -7.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9187 -8.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 -7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7846 -7.4800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -7.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 -6.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 -7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 -6.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 -7.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3824 -7.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 -8.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -5.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -4.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -6.4801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2464 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 -7.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2485 -7.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9802 -7.4799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 -8.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1116 -5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 -10.4798 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 -9.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3825 -10.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0958 -8.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8922 -7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3511 -9.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0441 -9.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0960 -6.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5681 -7.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0735 -6.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1093 -4.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2422 -4.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9743 -4.4763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 1 0 0 6 3 1 0 0 0 8 7 2 0 0 0 9 7 1 0 0 0 10 7 1 0 0 0 9 4 1 6 0 0 9 11 1 0 0 0 12 6 1 0 0 0 13 12 2 0 0 0 14 12 1 0 0 0 17 15 1 0 0 0 17 16 1 0 0 0 18 16 1 0 0 0 19 16 2 0 0 0 17 10 1 1 0 0 15 20 1 0 0 0 22 21 1 0 0 0 23 21 1 0 0 0 22 11 1 0 0 0 25 24 1 1 0 0 26 24 2 0 0 0 27 24 1 0 0 0 25 18 1 0 0 0 28 18 1 0 0 0 29 25 1 0 0 0 30 28 1 0 0 0 30 29 1 0 0 0 20 31 1 0 0 0 31 32 2 0 0 0 31 33 1 0 0 0 M END > CHEBI:138505 > Asn-Met-Gln-Pro > 2 > NMQP; N-M-Q-P; L-Asn-L-Met-L-Gln-L-Pro > L-asparaginyl-L-methionyl-L-glutaminyl-L-proline > C19H32N6O7S > 488.560 > 488.20532 > 0 > C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(N1[C@H](C(=O)O)CCC1)=O)CCSC > InChI=1S/C19H32N6O7S/c1-33-8-6-11(23-16(28)10(20)9-15(22)27)17(29)24-12(4-5-14(21)26)18(30)25-7-2-3-13(25)19(31)32/h10-13H,2-9,20H2,1H3,(H2,21,26)(H2,22,27)(H,23,28)(H,24,29)(H,31,32)/t10-,11-,12-,13-/m0/s1 > CSGAXEUOBCOXLO-CYDGBPFRSA-N $$$$