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methyl 1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}piperidine-4-carboxylate

Catalog ID
STL545932
SMILES CC[C@@H]([C@@H](C(=O)N1CCC(CC1)C(=O)OC)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 C34H45N3O8 MW 623.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O8/c1-8-19(2)30(33(40)37-15-13-21(14-16-37)34(41)45-7)36-26-12-10-23-24(18-27(26)39)25(35-20(3)38)11-9-22-17-28(42-4)31(43-5)32(44-6)29(22)23/h10,12,17-19,21,25,30H,8-9,11,13-16H2,1-7H3,(H,35,38)(H,36,39)/t19-,25-,30-/m0/s1
InChIKey
VMPGXXJQQFZKKW-VSBMSIFKSA-N
Synonyms

110207013
CC(C@@H)((C@@H)(C(=O)N1CCC(CC1)C(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H45N3O8c1819(2)30(33(40)37151321(141637)34(41)457)362612102324(1827(26)39)25(3520(3)38)119221728(424)31(435)32(446)29(22)23h10121719212530H89111316H217H3(H3538)(H3639)t192530m0s1
methyl1((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)piperidine4carboxylate
methyl1((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanoyl)piperidine4carboxylate
methyl1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)piperidine4carboxylate
ZINC000253413705
ZINC253413705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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