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

Catalog ID
STL545896
SMILES CSCC[C@@H](C(=O)Nc1sc(c(n1)C)C(=O)OC)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 C32H38N4O8S2 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S2/c1-16-29(31(40)44-6)46-32(33-16)36-30(39)23(12-13-45-7)35-22-11-9-19-20(15-24(22)38)21(34-17(2)37)10-8-18-14-25(41-3)27(42-4)28(43-5)26(18)19/h9,11,14-15,21,23H,8,10,12-13H2,1-7H3,(H,34,37)(H,35,38)(H,33,36,39)/t21-,23-/m0/s1
InChIKey
ONUGUPGYTAGUNU-GMAHTHKFSA-N
Synonyms

110207574
CSCC(C@@H)(C(=O)Nc1sc(c(n1)C)C(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H38N4O8S2c11629(31(40)446)4632(3316)3630(39)23(1213457)35221191920(1524(22)38)21(3417(2)37)108181425(413)27(424)28(435)26(18)19h91114152123H8101213H217H3(H3437)(H3538)(H333639)t2123m0s1
methyl2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)4methyl13thiazole5carboxylate
methyl2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)4methyl13thiazole5carboxylate
methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)4methylthiazole5carboxylate
ZINC000253411372
ZINC253411372

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Available files

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