(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoic acid Traditional Name: (2S)-2-(hydrocinnamoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c23-19(11-10-14-6-2-1-3-7-14)22-18(20(24)25)12-15-13-21-17-9-5-4-8-16(15)17/h1-9,13,18,21H,10-12H2,(H,22,23)(H,24,25)/t18-/m0/s1