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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-[5-(1H-benzimidazol-2-yl)pentyl]-L-methioninamide

Catalog ID
STL549523
SMILES CSCC[C@@H](C(=O)NCCCCCc1nc2c([nH]1)cccc2)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/c1-23(44)40-27-16-14-24-21-33(47-2)36(48-3)37(49-4)35(24)25-15-17-30(32(45)22-26(25)27)41-31(18-20-50-5)38(46)39-19-10-6-7-13-34-42-28-11-8-9-12-29(28)43-34/h8-9,11-12,15,17,21-22,27,31H,6-7,10,13-14,16,18-20H2,1-5H3,(H,39,46)(H,40,44
InChIKey
QETOCLXVLRHDSP-DHIFEGFHSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(1~(H)benzimidazol2yl)pentyl)4methylsulfanylbutanamide
(S)N(5(1Hbenzo(d)imidazol2yl)pentyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
127252676
CSCC(C@@H)(C(=O)NCCCCCc1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H47N5O6Sc123(44)40271614242133(472)36(483)37(494)35(24)25151730(32(45)2226(25)27)4131(1820505)38(46)391910671334422811891229(28)4334h891112151721222731H67101314161820H215H3(H3946)(H4044)(H4145)(H4243)t2731m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(1Hbenzimidazol2yl)pentyl)Lmethioninamide
ZINC000604405267
ZINC604405267

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Available files

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