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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-1H-benzimidazol-6-yl-L-isoleucinamide

Catalog ID
STL547271
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)[nH]cn2)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 C34H39N5O6 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O6/c1-7-18(2)31(34(42)38-21-9-12-25-27(15-21)36-17-35-25)39-26-13-10-22-23(16-28(26)41)24(37-19(3)40)11-8-20-14-29(43-4)32(44-5)33(45-6)30(20)22/h9-10,12-18,24,31H,7-8,11H2,1-6H3,(H,35,36)(H,37,40)(H,38,42)(H,39,41)/t18-,24+,31+/m1/s1
InChIKey
LTLHGSXEQPSJMT-GUXYNYLLSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3~(H)benzimidazol5yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hbenzo(d)imidazol6yl)3methylpentanamide
121541756
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)(nH)cn2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H39N5O6c1718(2)31(34(42)38219122527(1521)36173525)392613102223(1628(26)41)24(3719(3)40)118201429(434)32(445)33(456)30(20)22h91012182431H7811H216H3(H3536)(H3740)(H3842)(H3941)t1824+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hbenzimidazol6ylLisoleucinamide
ZINC000263585731
ZINC263585731

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Available files

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