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

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: (3S)-5-benzylsulfanyl-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-pentanoic acid CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: (3S)-5-benzylsulfanyl-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxopentanoic acid Traditional Name: (3S)-5-(benzylthio)-3-[(5-bromonicotinoyl)amino]-4-keto-valeric acid Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S/c19-14-6-13(8-20-9-14)18(25)21-15(7-17(23)24)16(22)11-26-10-12-4-2-1-3-5-12/h1-6,8-9,15H,7,10-11H2,(H,21,25)(H,23,24)/t15-/m0/s1