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tert-butyl (1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}piperidin-4-yl)carbamate

Catalog ID
STL541312
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)NC(=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 C36H50N4O8S MW 698.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H50N4O8S/c1-21(41)37-26-11-9-22-19-30(45-5)32(46-6)33(47-7)31(22)24-10-12-27(29(42)20-25(24)26)39-28(15-18-49-8)34(43)40-16-13-23(14-17-40)38-35(44)48-36(2,3)4/h10,12,19-20,23,26,28H,9,11,13-18H2,1-8H3,(H,37,41)(H,38,44)(H,39,42)/t26-,28-/m0/s
InChIKey
BJHGCTNHKSQPSO-XCZPVHLTSA-N
Synonyms
1574345-05-3
~(tert)butyl~(N)(1((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)piperidin4yl)carbamate
1574345053
75492352
CSCC(C@@H)(C(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H50N4O8Sc121(41)3726119221930(455)32(466)33(477)31(22)24101227(29(42)2025(24)26)3928(1518498)34(43)40161323(141740)3835(44)4836(23)4h10121920232628H9111318H218H3(H3741)(H3844)(H3942)t2628m0s1
tertbutyl(1((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)piperidin4yl)carbamate
tertbutyl(1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)piperidin4yl)carbamate
ZINC000150653778
ZINC150653778

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Available files

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