- 8 of 9 defined stereocentres
1-{[(4R,7S,10S,13S,16R)-7-(2-Amino-2-oxoethyl)-13-[(2S)-2-butanyl]-10-[(1S)-1-hydroxyethyl]-16-(4-methoxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prol yl-L-ornithylglycinamide
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)Cc2ccc(cc2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O
InChI=1S/C42H65N11O12S2/c1-5-22(2)34-40(62)52-35(23(3)54)41(63)49-28(19-31(44)55)37(59)50-29(21-67-66-17-14-33(57)47-27(38(60)51-34)18-24-10-12-25(65-4)13-11-24)42(64)53-16-7-9-30(53)39(61)48-26(8-6-15-43)36(58)46-20-32(45)56/h10-13,22-23,26-30,34-35,54H,5-9,14-21,43H2,1-4H3,(H2,44,55)(H2,45,56)(H,46,58)(H,47,57)(H,48,61)(H,49,63)(H,50,59)(H,51,60)(H,52,62)/t22-,23?,26-,27+,28-,29-,30-,34-,35-/m0/s1
FDSBXUOADCIFES-QOJUMLQXSA-N
CSID:57426318, http://www.chemspider.com/Chemical-Structure.57426318.html (accessed 16:40, Apr 20, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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