3-(1H-indol-3-yl)-2-[[2-(5-oxidanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-(5-oxidanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(5-hydroxyindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-hydroxyindan-1-yl)-3-mercapto-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C=CC(=C2)O

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C=CC(=C2)O

InChI

InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29)