(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-2-methyl-butanoate

Systemtic Name: (2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-2-methyl-butanoate Openeye Name: (2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-2-methyl-butanoate CAS Name: (2S)-2-[[[(3-fluorophenyl)methylamino]-oxomethyl]amino]-2-methylbutanoate IUPAC Name: (2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-2-methylbutanoate Traditional Name: (2S)-2-[(3-fluorobenzyl)carbamoylamino]-2-methyl-butyrate Formula: C13H16FN2O3- MolecularWeight: 267.276143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O3/c1-3-13(2,11(17)18)16-12(19)15-8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t13-/m0/s1