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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-methoxy-5-(methylcarbamoyl)phenyl]-L-isoleucinamide

Catalog ID
STL547905
SMILES CC[C@H]([C@@H](C(=O)Nc1cc(ccc1OC)C(=O)NC)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 C36H44N4O8 MW 660.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O8/c1-9-19(2)32(36(44)40-27-16-22(35(43)37-4)11-15-29(27)45-5)39-26-14-12-23-24(18-28(26)42)25(38-20(3)41)13-10-21-17-30(46-6)33(47-7)34(48-8)31(21)23/h11-12,14-19,25,32H,9-10,13H2,1-8H3,(H,37,43)(H,38,41)(H,39,42)(H,40,44)/t19-,25+,32+/m
InChIKey
SBTSFMLINMGVOJ-RNUBLEDQSA-N
Synonyms

121542156
3(((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)4methoxy~(N)methylbenzamide
3((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)4methoxyNmethylbenzamide
CC(C@H)((C@@H)(C(=O)Nc1cc(ccc1OC)C(=O)NC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H44N4O8c1919(2)32(36(44)40271622(35(43)374)111529(27)455)392614122324(1828(26)42)25(3820(3)41)1310211730(466)33(477)34(488)31(21)23h111214192532H91013H218H3(H3743)(H3841)(H3942)(H4044)t1925+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methoxy5(methylcarbamoyl)phenyl)Lisoleucinamide
ZINC000263586277
ZINC263586277

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Available files

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