(2S,3S)-2-(aminocarbonylamino)-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-pentanamide Openeye Name: (2S,3S)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-N-(4-fluoro-3-nitrophenyl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-N-(4-fluoro-3-nitrophenyl)-3-methylpentanamide Traditional Name: (2S,3S)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-2-ureido-valeramide Formula: C13H17FN4O4 MolecularWeight: 312.296883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C13H17FN4O4/c1-3-7(2)11(17-13(15)20)12(19)16-8-4-5-9(14)10(6-8)18(21)22/h4-7,11H,3H2,1-2H3,(H,16,19)(H3,15,17,20)/t7-,11-/m0/s1