(2S)-5-azanyl-2-[(5-chloranyl-2-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[(5-chloranyl-2-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(5-chloro-2-fluoro-benzoyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(5-chloro-2-fluorophenyl)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(5-chloro-2-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(5-chloro-2-fluoro-benzoyl)amino]-5-keto-valerate Formula: C12H11ClFN2O4- MolecularWeight: 301.678143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)NC(CCC(=O)N)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-])F

InChI

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