3-(1H-indol-3-yl)-2-[[2-(4-phenylphenyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylphenyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylphenyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-1-oxo-2-(4-phenylphenyl)propyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylphenyl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(4-phenylphenyl)propanoyl]amino]propionic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-12-10-18(11-13-19)17-6-2-1-3-7-17)28-24(26(30)31)14-20-15-27-23-9-5-4-8-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)