- 6 of 6 defined stereocentres
1-{[(4R,7S,10S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-14-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-N~5~-(diami nomethylene)-L-ornithylglycinamide
O=C(N)CNC(=O)[C@@H](NC(=O)[C@H]4N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)CCSSC1)Cc2ccc(O)cc2)Cc3ccccc3)CCC(=O)N)CC(=O)N)CCC4)CCC/N=C(\N)N
InChI=1S/C46H64N14O12S2/c47-35(62)15-14-30-41(68)57-31(21-36(48)63)42(69)58-33(45(72)60-18-5-9-34(60)43(70)56-29(8-4-17-52-46(50)51)40(67)53-22-37(49)64)25-74-73-19-16-38(65)55-32(20-26-10-12-28(61)13-11-26)44(71)59(24-39(66)54-30)23-27-6-2-1-3-7-27/h1-3,6-7,10-13,29-34,61H,4-5,8-9,14-25H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,67)(H,54,66)(H,55,65)(H,56,70)(H,57,68)(H,58,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-/m0/s1
KMAKVRRCFSLRIN-CVUOCSEZSA-N
CSID:9258805, http://www.chemspider.com/Chemical-Structure.9258805.html (accessed 12:55, Mar 28, 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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