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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-1H-indol-4-yl)-L-isoleucinamide

Catalog ID
STL541066
SMILES CC[C@H]([C@@H](C(=O)Nc1cccc2c1ccn2C)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 C36H42N4O6 MW 626.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N4O6/c1-8-20(2)33(36(43)39-26-10-9-11-29-24(26)16-17-40(29)4)38-28-15-13-23-25(19-30(28)42)27(37-21(3)41)14-12-22-18-31(44-5)34(45-6)35(46-7)32(22)23/h9-11,13,15-20,27,33H,8,12,14H2,1-7H3,(H,37,41)(H,38,42)(H,39,43)/t20-,27+,33+/m1/s1
InChIKey
HMPADHHUVIWUKZ-WWDMOCDSSA-N
Synonyms
1574292-00-4
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1methylindol4yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1methyl1Hindol4yl)pentanamide
1574292004
75491116
CC(C@H)((C@@H)(C(=O)Nc1cccc2c1ccn2C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H42N4O6c1820(2)33(36(43)3926109112924(26)161740(29)4)382815132325(1930(28)42)27(3721(3)41)1412221831(445)34(456)35(467)32(22)23h9111315202733H81214H217H3(H3741)(H3842)(H3943)t2027+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hindol4yl)Lisoleucinamide
ZINC000108447739
ZINC108447739

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Available files

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