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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(N-isopropylanilino)-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-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-16(2)27(19-9-5-4-6-10-19)23(29)15-31-24(30)22(26-17(3)28)13-18-14-25-21-12-8-7-11-20(18)21/h4-12,14,16,22,25H,13,15H2,1-3H3,(H,26,28)/t22-/m0/s1