[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-13-19(16-10-6-7-11-17(16)22-13)18(25)12-28-20(26)14(2)23-21(27)24-15-8-4-3-5-9-15/h3-11,14,22H,12H2,1-2H3,(H2,23,24,27)/t14-/m0/s1