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

Catalog ID
STL540342
SMILES CC[C@H]([C@@H](C(=O)NCCc1nc2c(n1C)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 C37H45N5O6 MW 655.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O6/c1-8-21(2)34(37(45)38-18-17-32-40-27-11-9-10-12-29(27)42(32)4)41-28-16-14-24-25(20-30(28)44)26(39-22(3)43)15-13-23-19-31(46-5)35(47-6)36(48-7)33(23)24/h9-12,14,16,19-21,26,34H,8,13,15,17-18H2,1-7H3,(H,38,45)(H,39,43)(H,41,44)/t21-,26+,
InChIKey
BZGRLOREPIUFKS-LROAJGHSSA-N
Synonyms
1574393-10-4
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(1methylbenzimidazol2yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(1methyl1Hbenzo(d)imidazol2yl)ethyl)pentanamide
1574393104
75491180
CC(C@H)((C@@H)(C(=O)NCCc1nc2c(n1C)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H45N5O6c1821(2)34(37(45)381817324027119101229(27)42(32)4)412816142425(2030(28)44)26(3922(3)43)1513231931(465)35(476)36(487)33(23)24h912141619212634H813151718H217H3(H3845)(H3943)(H4144)t2126+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1methyl1Hbenzimidazol2yl)ethyl)Lisoleucinamide
ZINC000150653065
ZINC150653065

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Available files

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