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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-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-L-methioninamide

Catalog ID
STL548169
SMILES CSCC[C@@H](C(=O)N[C@H](c1nc2c([nH]1)cccc2)[C@H](CC)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 C38H47N5O6S MW 701.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N5O6S/c1-8-21(2)34(37-41-27-11-9-10-12-28(27)42-37)43-38(46)30(17-18-50-7)40-29-16-14-24-25(20-31(29)45)26(39-22(3)44)15-13-23-19-32(47-4)35(48-5)36(49-6)33(23)24/h9-12,14,16,19-21,26,30,34H,8,13,15,17-18H2,1-7H3,(H,39,44)(H,40,45)(H,41,42)
InChIKey
PCDCOCBOLNJSRH-HKDBCBPJSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)4methylsulfanylbutanamide
(S)N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
121541281
CSCC(C@@H)(C(=O)N(C@H)(c1nc2c((nH)1)cccc2)(C@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H47N5O6Sc1821(2)34(374127119101228(27)4237)4338(46)30(1718507)402916142425(2031(29)45)26(3922(3)44)1513231932(474)35(485)36(496)33(23)24h91214161921263034H813151718H217H3(H3944)(H4045)(H4142)(H4346)t21263034m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)1(1Hbenzimidazol2yl)2methylbutyl)Lmethioninamide
ZINC000263586029
ZINC263586029

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Available files

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