(2S)-5-azanyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-5-keto-valerate Formula: C14H14FN2O4- MolecularWeight: 293.270363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FN2O4/c15-10-4-1-9(2-5-10)3-8-13(19)17-11(14(20)21)6-7-12(16)18/h1-5,8,11H,6-7H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/b8-3+/t11-/m0/s1