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

Systemtic Name: 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-quinolin-2-yl-propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(2-quinolyl)propanoic acid CAS Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(2-quinolinyl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-quinolin-2-ylpropanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(2-quinolyl)propionic acid Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=NC4=CC=CC=C4C=C3)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=NC4=CC=CC=C4C=C3)C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C24H23BrN2O3S/c25-16-7-10-18-15(11-16)6-9-19(18)20(13-31)23(28)27-22(24(29)30)12-17-8-5-14-3-1-2-4-21(14)26-17/h1-5,7-8,10-11,19-20,22,31H,6,9,12-13H2,(H,27,28)(H,29,30)