(2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate Openeye Name: (2S)-2-[(2-benzylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]propanoate IUPAC Name: (2S)-2-[(2-benzylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(benzylthio)acetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C20H19N2O3S- MolecularWeight: 367.44146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C20H20N2O3S/c23-19(13-26-12-14-6-2-1-3-7-14)22-18(20(24)25)10-15-11-21-17-9-5-4-8-16(15)17/h1-9,11,18,21H,10,12-13H2,(H,22,23)(H,24,25)/p-1/t18-/m0/s1