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

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)C1=CNC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)C1=CNC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-13(23-21(27)24-15-8-4-3-5-9-15)20(26)28-14(2)19(25)17-12-22-18-11-7-6-10-16(17)18/h3-14,22H,1-2H3,(H2,23,24,27)/t13-,14+/m0/s1