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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-[2-(1H-benzimidazol-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL540233
SMILES CC[C@H]([C@@H](C(=O)NCCn1cnc2c1cccc2)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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-7-21(2)33(36(44)37-16-17-41-20-38-27-10-8-9-11-29(27)41)40-28-15-13-24-25(19-30(28)43)26(39-22(3)42)14-12-23-18-31(45-4)34(46-5)35(47-6)32(23)24/h8-11,13,15,18-21,26,33H,7,12,14,16-17H2,1-6H3,(H,37,44)(H,39,42)(H,40,43)/t21-,26+,33+
InChIKey
OJEFULBGPFRHRB-UNFOWLHKSA-N
Synonyms
1574378-56-5
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(benzimidazol1yl)ethyl)3methylpentanamide
(2S3R)N(2(1Hbenzo(d)imidazol1yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
1574378565
75492418
CC(C@H)((C@@H)(C(=O)NCCn1cnc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H43N5O6c1721(2)33(36(44)3716174120382710891129(27)41)402815132425(1930(28)43)26(3922(3)42)1412231831(454)34(465)35(476)32(23)24h811131518212633H712141617H216H3(H3744)(H3942)(H4043)t2126+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hbenzimidazol1yl)ethyl)Lisoleucinamide
ZINC000150653795
ZINC150653795

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Available files

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