Try beta.chemspider
- 8 of 9 defined stereocentres
(4R,7R,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(3R)-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
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3C=CC=CC=32)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)NC([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)CC1=CC2=CC=CC=C2C=C1
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-MXZTWTHSSA-N
CSID:114811195, http://www.chemspider.com/Chemical-Structure.114811195.html (accessed 03:28, Apr 29, 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
Advertisement
Spotlight