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

Systemtic Name: 2-[[2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-cyanoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-cyanoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H23N3O3S MolecularWeight: 433.52272

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)