(3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-5-phenylsulfanyl-pentanoic acid

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-5-phenylsulfanyl-pentanoic acid Openeye Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-5-phenylsulfanyl-pentanoic acid CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-oxo-5-(phenylthio)pentanoic acid IUPAC Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-5-phenylsulfanylpentanoic acid Traditional Name: (3S)-3-[(5-bromonicotinoyl)amino]-4-keto-5-(phenylthio)valeric acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)C(CC(=O)O)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)[C@H](CC(=O)O)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H15BrN2O4S/c18-12-6-11(8-19-9-12)17(24)20-14(7-16(22)23)15(21)10-25-13-4-2-1-3-5-13/h1-6,8-9,14H,7,10H2,(H,20,24)(H,22,23)/t14-/m0/s1