[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C22H23N3O4/c1-14(21(27)25-17-8-4-3-5-9-17)29-22(28)20(24-15(2)26)12-16-13-23-19-11-7-6-10-18(16)19/h3-11,13-14,20,23H,12H2,1-2H3,(H,24,26)(H,25,27)/t14-,20+/m1/s1