Try beta.chemspider
- 9 of 9 defined stereocentres
(4S,7R,10S,13S,16S,19R)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-hydroxy-1-oxo-2-butanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-19-{[3-(2-naphthyl)-D-alanyl]amino}-6,9,12,15,18-pentaoxo -1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccc6ccccc6c5)N)O
InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42+,43+,44-,45-,46+/m1/s1
PUDHBTGHUJUUFI-IGSAHCBPSA-N
CSID:23167321, http://www.chemspider.com/Chemical-Structure.23167321.html (accessed 22:20, Apr 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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