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

Systemtic Name: 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(2H-indazol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(2H-indazol-3-yl)propanoic acid CAS Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(2H-indazol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(2H-indazol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(2H-indazol-3-yl)propionic acid Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=C4C=CC=CC4=NN3)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=C4C=CC=CC4=NN3)C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C22H22BrN3O3S/c23-13-6-8-14-12(9-13)5-7-15(14)17(11-30)21(27)24-20(22(28)29)10-19-16-3-1-2-4-18(16)25-26-19/h1-4,6,8-9,15,17,20,30H,5,7,10-11H2,(H,24,27)(H,25,26)(H,28,29)