[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C26H30N2O5/c1-15(2)23(27-25(31)21-8-6-7-16(3)13-21)26(32)33-17(4)24(30)20-9-10-22-19(14-20)11-12-28(22)18(5)29/h6-10,13-15,17,23H,11-12H2,1-5H3,(H,27,31)/t17?,23-/m0/s1