2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-(2H-indazol-3-yl)-4-oxidanylidene-6-sulfanyl-hexanoic acid

Systemtic Name: 2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-(2H-indazol-3-yl)-4-oxidanylidene-6-sulfanyl-hexanoic acid Openeye Name: 2-amino-2-(5-bromoindan-1-yl)-3-(2H-indazol-3-yl)-4-oxo-6-sulfanyl-hexanoic acid CAS Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(2H-indazol-3-yl)-6-mercapto-4-oxohexanoic acid IUPAC Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(2H-indazol-3-yl)-4-oxo-6-sulfanylhexanoic acid Traditional Name: 2-amino-2-(5-bromoindan-1-yl)-3-(2H-indazol-3-yl)-4-keto-6-mercapto-hexanoic acid Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(C(C3=C4C=CC=CC4=NN3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(C(C3=C4C=CC=CC4=NN3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

InChI

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