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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(hydroxymethyl)-1H-benzimidazol-6-yl]isoleucinamide

Catalog ID
STL545938
SMILES CCC(C(C(=O)Nc1ccc2c(c1)[nH]c(n2)CO)Nc1ccc2c(cc1=O)C(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 C35H41N5O7 MW 643.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O7/c1-7-18(2)32(35(44)37-21-9-12-25-27(15-21)39-30(17-41)38-25)40-26-13-10-22-23(16-28(26)43)24(36-19(3)42)11-8-20-14-29(45-4)33(46-5)34(47-6)31(20)22/h9-10,12-16,18,24,32,41H,7-8,11,17H2,1-6H3,(H,36,42)(H,37,44)(H,38,39)(H,40,43)
InChIKey
PSJUQPKUZULEHL-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(hydroxymethyl)1Hbenzo(d)imidazol5yl)3methylpentanamide
122169715
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(hydroxymethyl)3~(H)benzimidazol5yl)3methylpentanamide
57dihydroxy8(3(4methylpiperazin1yl)3oxo1(4oxo4Hchromen3yl)propyl)2phenyl4Hchromen4one
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)nc((nH)2)CO)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
CN1CCN(CC1)C(=O)CC(c1coc2c(c1=O)cccc2)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O
InChI=1SC35H41N5O7c1718(2)32(35(44)37219122527(1521)3930(1741)3825)402613102223(1628(26)43)24(3619(3)42)118201429(454)33(465)34(476)31(20)22h910121618243241H781117H216H3(H3642)(H3744)(H3839)(H4043)
MFCD31756323
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(hydroxymethyl)1Hbenzimidazol6yl)isoleucinamide
ZINC000409414849
ZINC000409414852

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Available files

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