2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(7-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-(7-methoxy-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(7-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-(7-methoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propionic acid Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC=CC2=C1NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C24H25BrN2O4S/c1-31-21-4-2-3-17-14(11-26-22(17)21)10-20(24(29)30)27-23(28)19(12-32)18-7-5-13-9-15(25)6-8-16(13)18/h2-4,6,8-9,11,18-20,26,32H,5,7,10,12H2,1H3,(H,27,28)(H,29,30)