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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-14(20(26)17-13-23-18-10-6-5-9-16(17)18)28-19(25)11-12-22-21(27)24-15-7-3-2-4-8-15/h2-10,13-14,23H,11-12H2,1H3,(H2,22,24,27)/t14-/m0/s1