3-(1H-indol-3-yl)-2-[[2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-methoxyindan-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(4-methoxyindan-1-yl)propanoyl]amino]propionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCC2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1CCC2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

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