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

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(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)C(CC(=O)[O-])NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

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

InChI

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