Try beta.chemspider
- 12 of 12 defined stereocentres
(3S,6S,9S,12S,15R,18S,21S)-21-[(2R)-3-Hydroxy-2-methylpropyl]-3-[(R)-hydroxy(1-{2-[(2R)-2-oxiranyl]-2-propanyl}-1H-indol-3-yl)methyl]-9-isobutyl-12-isopropyl-15-[(R)-methoxy(phenyl)methyl]-1,10,18-tri methyl-6-[(2R)-4-methyl-3-penten-2-yl]-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone
CC(C)=C[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@@H](NC1=O)[C@H](O)C1=CN(C2C=CC=CC1=2)C(C)(C)[C@@H]1CO1)[C@H](OC)C1C=CC=CC=1)C(C)C
InChI=1S/C56H82N8O11/c1-30(2)24-34(8)44-52(70)60-45(47(66)38-27-64(56(10,11)42-29-75-42)39-23-19-18-22-37(38)39)55(73)63(13)41(26-33(7)28-65)50(68)57-35(9)49(67)61-46(48(74-14)36-20-16-15-17-21-36)53(71)58-43(32(5)6)54(72)62(12)40(25-31(3)4)51(69)59-44/h15-24,27,31-35,40-48,65-66H,25-26,28-29H2,1-14H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t33-,34-,35+,40+,41+,42+,43+,44+,45+,46-,47-,48-/m1/s1
WCNJVJCYRBJSLC-ZZVCDORXSA-N
CSID:74176510, http://www.chemspider.com/Chemical-Structure.74176510.html (accessed 08:07, Jul 27, 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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