(phenylmethyl) (2S)-2-[(6-methylpyridin-3-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(6-methylpyridin-3-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(6-methylnicotinoyl)amino]propionic acid benzyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC(CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4/c1-12-7-8-14(9-18-12)16(21)19-15(10-20)17(22)23-11-13-5-3-2-4-6-13/h2-9,15,20H,10-11H2,1H3,(H,19,21)/t15-/m0/s1