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- 8 of 8 defined stereocentres
N-{[(4R,7S,10S,13S,16S,19R)-19-(L-Alanylamino)-10-(4-aminobutyl)-16-(cyclohexylmethyl)-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4- yl]carbonyl}-L-valine
C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2CCCCC2)Cc3c[nH]c4c3cccc4)CCCCN)Cc5ccc(cc5)O)C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI=1S/C49H70N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h7-8,13-14,16-19,24,27-29,35-41,52,60H,4-6,9-12,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
BKBNRUZZGBUWOM-KOOAXUMWSA-N
CSID:10168042, http://www.chemspider.com/Chemical-Structure.10168042.html (accessed 17:10, Apr 26, 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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