3-(1H-indol-3-yl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(2-mercapto-3-phenyl-propanoyl)amino]propionic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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