2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-methyl-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-methyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-methyl-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-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propionic acid Formula: C24H25BrN2O3S MolecularWeight: 501.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C(CS)C3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C24H25BrN2O3S/c1-13-2-7-21-19(8-13)15(11-26-21)10-22(24(29)30)27-23(28)20(12-31)18-5-3-14-9-16(25)4-6-17(14)18/h2,4,6-9,11,18,20,22,26,31H,3,5,10,12H2,1H3,(H,27,28)(H,29,30)