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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-L-isoleucinamide

Catalog ID
STL550203
SMILES CC[C@H]([C@@H](C(=O)NC1CCc2c1cc(OC)c(c2)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H47N3O8 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O8/c1-9-20(2)35(38(44)41-27-13-10-22-16-31(45-4)32(46-5)19-25(22)27)40-29-15-12-24-26(18-30(29)43)28(39-21(3)42)14-11-23-17-33(47-6)36(48-7)37(49-8)34(23)24/h12,15-20,27-28,35H,9-11,13-14H2,1-8H3,(H,39,42)(H,40,43)(H,41,44)/t20-,27?,28+,3
InChIKey
IBICGBGRUNTWPI-BAADHDAWSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dimethoxy23dihydro1~(H)inden1yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(56dimethoxy23dihydro1Hinden1yl)3methylpentanamide
127253370
CC(C@H)((C@@H)(C(=O)NC1CCc2c1cc(OC)c(c2)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H47N3O8c1920(2)35(38(44)41271310221631(454)32(465)1925(22)27)402915122426(1830(29)43)28(3921(3)42)1411231733(476)36(487)37(498)34(23)24h121520272835H9111314H218H3(H3942)(H4043)(H4144)t2027?28+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(56dimethoxy23dihydro1Hinden1yl)Lisoleucinamide
ZINC000604404882
ZINC000604404883

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Available files

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