(2S)-3-(1H-indol-3-yl)-2-(prop-2-ynoylamino)propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(prop-2-ynoylamino)propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(prop-2-ynoylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(1-oxoprop-2-ynylamino)propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(prop-2-ynoylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(propioloylamino)propionate Formula: C14H11N2O3- MolecularWeight: 255.24874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3/c1-2-13(17)16-12(14(18)19)7-9-8-15-11-6-4-3-5-10(9)11/h1,3-6,8,12,15H,7H2,(H,16,17)(H,18,19)/p-1/t12-/m0/s1