3-(1H-indol-3-yl)-2-[[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(6-methoxyindan-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(6-methoxyindan-1-yl)propanoyl]amino]propionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C=C1

InChI

InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29)