(2S,3S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(5-bromonicotinoyl)amino]-3-methyl-valerate Formula: C12H14BrN2O3- MolecularWeight: 314.15516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O3/c1-3-7(2)10(12(17)18)15-11(16)8-4-9(13)6-14-5-8/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)/p-1/t7-,10-/m0/s1