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

Systemtic Name: 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propionic acid Formula: C24H25BrN2O4S MolecularWeight: 517.4353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C24H25BrN2O4S/c1-31-16-4-7-21-19(10-16)14(11-26-21)9-22(24(29)30)27-23(28)20(12-32)18-5-2-13-8-15(25)3-6-17(13)18/h3-4,6-8,10-11,18,20,22,26,32H,2,5,9,12H2,1H3,(H,27,28)(H,29,30)