(3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-4-sulfanyl-butanoic acid CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-mercapto-4-oxobutanoic acid IUPAC Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-4-sulfanylbutanoic acid Traditional Name: (3S)-3-[(5-bromonicotinoyl)amino]-4-keto-4-mercapto-butyric acid Formula: C10H9BrN2O4S MolecularWeight: 333.15846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)NC(CC(=O)O)C(=O)S

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)N[C@@H](CC(=O)O)C(=O)S

InChI

InChI=1S/C10H9BrN2O4S/c11-6-1-5(3-12-4-6)9(16)13-7(10(17)18)2-8(14)15/h1,3-4,7H,2H2,(H,13,16)(H,14,15)(H,17,18)/t7-/m0/s1