(2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-mercaptopropanoate IUPAC Name: (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2S)-2-[(5-bromonicotinoyl)amino]-3-mercapto-propionate Formula: C9H8BrN2O3S- MolecularWeight: 304.14042

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)NC(CS)C(=O)[O-]

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)N[C@H](CS)C(=O)[O-]

InChI

InChI=1S/C9H9BrN2O3S/c10-6-1-5(2-11-3-6)8(13)12-7(4-16)9(14)15/h1-3,7,16H,4H2,(H,12,13)(H,14,15)/p-1/t7-/m1/s1