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

Systemtic Name: (2S,3S)-3-methyl-2-(2-pyridin-4-ylethanoylamino)pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[(1-oxo-2-pyridin-4-ylethyl)amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]valerate Formula: C13H17N2O3- MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CC1=CC=NC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CC1=CC=NC=C1

InChI

InChI=1S/C13H18N2O3/c1-3-9(2)12(13(17)18)15-11(16)8-10-4-6-14-7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)(H,17,18)/p-1/t9-,12-/m0/s1