- 9 of 9 defined stereocentres
1-({(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prol yl-L-lysylglycinamide
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)Cc2ccc(cc2)O)C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O
InChI=1S/C42H65N11O12S2/c1-4-22(2)34-40(63)52-35(23(3)54)41(64)49-28(19-31(44)56)37(60)50-29(21-67-66-17-14-33(58)47-27(38(61)51-34)18-24-10-12-25(55)13-11-24)42(65)53-16-7-9-30(53)39(62)48-26(8-5-6-15-43)36(59)46-20-32(45)57/h10-13,22-23,26-30,34-35,54-55H,4-9,14-21,43H2,1-3H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)/t22-,23+,26-,27-,28-,29-,30-,34-,35-/m0/s1
JEJXFIMONSYFIQ-PVTWPBRTSA-N
CSID:9248253, http://www.chemspider.com/Chemical-Structure.9248253.html (accessed 04:15, Apr 19, 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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