(2S)-2-[(2-methylphenyl)methylcarbamoylamino]pentanoate

Systemtic Name: (2S)-2-[(2-methylphenyl)methylcarbamoylamino]pentanoate Openeye Name: (2S)-2-(o-tolylmethylcarbamoylamino)pentanoate CAS Name: (2S)-2-[[[(2-methylphenyl)methylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2-[(2-methylphenyl)methylcarbamoylamino]pentanoate Traditional Name: (2S)-2-[(2-methylbenzyl)carbamoylamino]valerate Formula: C14H19N2O3- MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)NCC1=CC=CC=C1C

Isomeric SMILES

CCC[C@@H](C(=O)[O-])NC(=O)NCC1=CC=CC=C1C

InChI

InChI=1S/C14H20N2O3/c1-3-6-12(13(17)18)16-14(19)15-9-11-8-5-4-7-10(11)2/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1