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

Systemtic Name: 2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-4-oxidanylidene-3-pyridin-3-yl-6-sulfanyl-hexanoic acid Openeye Name: 2-amino-2-(5-bromoindan-1-yl)-4-oxo-3-(3-pyridyl)-6-sulfanyl-hexanoic acid CAS Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-6-mercapto-4-oxo-3-(3-pyridinyl)hexanoic acid IUPAC Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-oxo-3-pyridin-3-yl-6-sulfanylhexanoic acid Traditional Name: 2-amino-2-(5-bromoindan-1-yl)-4-keto-6-mercapto-3-(3-pyridyl)hexanoic acid Formula: C20H21BrN2O3S MolecularWeight: 449.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(C(C3=CN=CC=C3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(C(C3=CN=CC=C3)C(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

InChI

InChI=1S/C20H21BrN2O3S/c21-14-4-5-15-12(10-14)3-6-16(15)20(22,19(25)26)18(17(24)7-9-27)13-2-1-8-23-11-13/h1-2,4-5,8,10-11,16,18,27H,3,6-7,9,22H2,(H,25,26)