[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C23H23N3O5/c1-14(27)16-6-5-7-18(10-16)26-22(29)13-31-23(30)21(25-15(2)28)11-17-12-24-20-9-4-3-8-19(17)20/h3-10,12,21,24H,11,13H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1