(2S)-3-(1H-indol-3-yl)-2-(4-oxidanylidenepentan-2-ylideneamino)propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(4-oxidanylidenepentan-2-ylideneamino)propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(1-methyl-3-oxo-butylidene)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(4-oxopentan-2-ylideneamino)propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(4-oxopentan-2-ylideneamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(3-keto-1-methyl-butylidene)amino]propionate Formula: C16H17N2O3- MolecularWeight: 285.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(CC1=CNC2=CC=CC=C21)C(=O)[O-])CC(=O)C

Isomeric SMILES

CC(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-])CC(=O)C

InChI

InChI=1S/C16H18N2O3/c1-10(7-11(2)19)18-15(16(20)21)8-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,15,17H,7-8H2,1-2H3,(H,20,21)/p-1/t15-/m0/s1