(2S,3S)-3-methyl-2-[(phenylmethyl)carbamoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(phenylmethyl)carbamoylamino]pentanoate Openeye Name: (2S,3S)-2-(benzylcarbamoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]pentanoate IUPAC Name: (2S,3S)-2-(benzylcarbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(benzylcarbamoylamino)-3-methyl-valerate Formula: C14H19N2O3- MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3/c1-3-10(2)12(13(17)18)16-14(19)15-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t10-,12-/m0/s1