methyl (2S)-2-[(2-acetamidophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-acetamidophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(2-acetamidobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2-acetamidophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-acetamidobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(2-acetamidobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-13(25)23-18-10-6-4-8-16(18)20(26)24-19(21(27)28-2)11-14-12-22-17-9-5-3-7-15(14)17/h3-10,12,19,22H,11H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1