(2S)-4-azanyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-keto-butyrate Formula: C12H11ClFN2O4- MolecularWeight: 301.678143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClFN2O4/c13-7-2-1-3-8(14)6(7)4-11(18)16-9(12(19)20)5-10(15)17/h1-3,9H,4-5H2,(H2,15,17)(H,16,18)(H,19,20)/p-1/t9-/m0/s1