3-(1H-indol-3-yl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)