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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-[2-(1H-benzimidazol-2-yl)ethyl]-L-isoleucinamide

Catalog ID
STL540426
SMILES CC[C@H]([C@@H](C(=O)NCCc1nc2c([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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-7-20(2)33(36(44)37-17-16-31-39-26-10-8-9-11-27(26)40-31)41-28-15-13-23-24(19-29(28)43)25(38-21(3)42)14-12-22-18-30(45-4)34(46-5)35(47-6)32(22)23/h8-11,13,15,18-20,25,33H,7,12,14,16-17H2,1-6H3,(H,37,44)(H,38,42)(H,39,40)(H,41,43)/t20
InChIKey
BUPBHOKIPDSSHJ-NMYNAMSQSA-N
Synonyms
1574381-03-5
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1~(H)benzimidazol2yl)ethyl)3methylpentanamide
(2S3R)N(2(1Hbenzo(d)imidazol2yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
1574381035
75492119
CC(C@H)((C@@H)(C(=O)NCCc1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H43N5O6c1720(2)33(36(44)37171631392610891127(26)4031)412815132324(1929(28)43)25(3821(3)42)1412221830(454)34(465)35(476)32(22)23h811131518202533H712141617H216H3(H3744)(H3842)(H3940)(H4143)t2025+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hbenzimidazol2yl)ethyl)Lisoleucinamide
ZINC000150653646
ZINC150653646

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Available files

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