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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-isoleucinamide

Catalog ID
STL550058
SMILES CC[C@H]([C@@H](C(=O)NCCCCCc1nc2c([nH]1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C39H49N5O6 MW 683.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H49N5O6/c1-7-23(2)36(39(47)40-20-12-8-9-15-34-42-29-13-10-11-14-30(29)43-34)44-31-19-17-26-27(22-32(31)46)28(41-24(3)45)18-16-25-21-33(48-4)37(49-5)38(50-6)35(25)26/h10-11,13-14,17,19,21-23,28,36H,7-9,12,15-16,18,20H2,1-6H3,(H,40,47)(H,41,45)(
InChIKey
SKCXCHUYYWWTQB-CSWYBDLXSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(1~(H)benzimidazol2yl)pentyl)3methylpentanamide
(2S3R)N(5(1Hbenzo(d)imidazol2yl)pentyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
127253440
CC(C@H)((C@@H)(C(=O)NCCCCCc1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H49N5O6c1723(2)36(39(47)40201289153442291310111430(29)4334)443119172627(2232(31)46)28(4124(3)45)1816252133(484)37(495)38(506)35(25)26h10111314171921232836H791215161820H216H3(H4047)(H4145)(H4243)(H4446)t2328+36+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(1Hbenzimidazol2yl)pentyl)Lisoleucinamide
ZINC000604405857
ZINC604405857

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Available files

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