(2S)-4-azanyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-4-keto-butyrate Formula: C13H12FN2O4- MolecularWeight: 279.243783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(CC(=O)N)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N[C@@H](CC(=O)N)C(=O)[O-])F

InChI

InChI=1S/C13H13FN2O4/c14-9-4-1-8(2-5-9)3-6-12(18)16-10(13(19)20)7-11(15)17/h1-6,10H,7H2,(H2,15,17)(H,16,18)(H,19,20)/p-1/b6-3+/t10-/m0/s1