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

Systemtic Name: (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-bromonicotinoyl)amino]-3-phenyl-propionate Formula: C15H12BrN2O3- MolecularWeight: 348.17138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O3/c16-12-7-11(8-17-9-12)14(19)18-13(15(20)21)6-10-4-2-1-3-5-10/h1-5,7-9,13H,6H2,(H,18,19)(H,20,21)/p-1/t13-/m0/s1