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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-[1-methyl-2-(morpholin-4-ylmethyl)-1H-benzimidazol-5-yl]-L-isoleucinamide

Catalog ID
STL550689
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)nc(n2C)CN1CCOCC1)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 C40H50N6O7 MW 726.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H50N6O7/c1-8-23(2)37(40(49)42-26-10-14-32-31(20-26)43-35(45(32)4)22-46-15-17-53-18-16-46)44-30-13-11-27-28(21-33(30)48)29(41-24(3)47)12-9-25-19-34(50-5)38(51-6)39(52-7)36(25)27/h10-11,13-14,19-21,23,29,37H,8-9,12,15-18,22H2,1-7H3,(H,41,47)(H,4
InChIKey
YFQNUKVCEYVQBP-NKRKTXRJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1methyl2(morpholin4ylmethyl)benzimidazol5yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1methyl2(morpholinomethyl)1Hbenzo(d)imidazol5yl)pentanamide
127253367
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)nc(n2C)CN1CCOCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC40H50N6O7c1823(2)37(40(49)422610143231(2026)4335(45(32)4)2246151753181646)443013112728(2133(30)48)29(4124(3)47)129251934(505)38(516)39(527)36(25)27h101113141921232937H8912151822H217H3(H4147)(H4249)(H4448)t2329+37+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl2(morpholin4ylmethyl)1Hbenzimidazol5yl)Lisoleucinamide
ZINC000604406192
ZINC604406192

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Available files

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