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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-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-methioninamide

Catalog ID
STL546938
SMILES CSCC[C@@H](C(=O)NC(c1ccc(c(c1)OC)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 C38H49N3O8S MW 707.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H49N3O8S/c1-21(2)35(24-11-15-31(45-4)32(19-24)46-5)41-38(44)29(16-17-50-9)40-28-14-12-25-26(20-30(28)43)27(39-22(3)42)13-10-23-18-33(47-6)36(48-7)37(49-8)34(23)25/h11-12,14-15,18-21,27,29,35H,10,13,16-17H2,1-9H3,(H,39,42)(H,40,43)(H,41,44)/t27
InChIKey
SIWOWUAUIFWBDY-DKBVDDCUSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)4methylsulfanylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)4(methylthio)butanamide
121542005
CSCC(C@@H)(C(=O)NC(c1ccc(c(c1)OC)OC)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H49N3O8Sc121(2)35(24111531(454)32(1924)465)4138(44)29(1617509)402814122526(2030(28)43)27(3922(3)42)1310231833(476)36(487)37(498)34(23)25h111214151821272935H10131617H219H3(H3942)(H4043)(H4144)t272935?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(34dimethoxyphenyl)2methylpropyl)Lmethioninamide
ZINC000263586289
ZINC000263586290

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Available files

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