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methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-L-valinate

Catalog ID
STL543131
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C32H43N3O8S MW 629.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8S/c1-17(2)28(32(39)43-7)35-31(38)24(13-14-44-8)34-23-12-10-20-21(16-25(23)37)22(33-18(3)36)11-9-19-15-26(40-4)29(41-5)30(42-6)27(19)20/h10,12,15-17,22,24,28H,9,11,13-14H2,1-8H3,(H,33,36)(H,34,37)(H,35,38)/t22-,24-,28-/m0/s1
InChIKey
CVMWJJHUVGRNDI-HPJWIMSGSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)3methylbutanoate
110206948
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H43N3O8Sc117(2)28(32(39)437)3531(38)24(1314448)342312102021(1625(23)37)22(3318(3)36)119191526(404)29(415)30(426)27(19)20h10121517222428H9111314H218H3(H3336)(H3437)(H3538)t222428m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)3methylbutanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLvalinate
ZINC000253399341
ZINC253399341

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Available files

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

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