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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O3/c1-8(2)11(12(17)18)16-13(19)15-7-9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1