(2S)-2-azanyl-N-[(2R)-2-(4-fluoranyl-3-nitro-phenyl)-2-oxidanyl-ethyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-[(2R)-2-(4-fluoranyl-3-nitro-phenyl)-2-oxidanyl-ethyl]-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[(2R)-2-(4-fluoro-3-nitro-phenyl)-2-hydroxy-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[(2R)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyethyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[(2R)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyethyl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[(2R)-2-(4-fluoro-3-nitro-phenyl)-2-hydroxy-ethyl]-4-methyl-valeramide Formula: C14H20FN3O4 MolecularWeight: 313.324703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(C1=CC(=C(C=C1)F)[N+](=O)[O-])O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3O4/c1-8(2)5-11(16)14(20)17-7-13(19)9-3-4-10(15)12(6-9)18(21)22/h3-4,6,8,11,13,19H,5,7,16H2,1-2H3,(H,17,20)/t11-,13-/m0/s1