(2S,3S)-3-methyl-2-(pyridin-4-ylcarbonylamino)pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-(pyridin-4-ylcarbonylamino)pentanoate Openeye Name: (2S,3S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoate Traditional Name: (2S,3S)-2-isonicotinamido-3-methyl-valerate Formula: C12H15N2O3- MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-3-8(2)10(12(16)17)14-11(15)9-4-6-13-7-5-9/h4-8,10H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1/t8-,10-/m0/s1