(2S)-5-[[azanyl(nitramido)methylidene]amino]-N-oxidanyl-2-(2-phenylethanoylamino)pentanamide

Systemtic Name: (2S)-5-[[azanyl(nitramido)methylidene]amino]-N-oxidanyl-2-(2-phenylethanoylamino)pentanamide Openeye Name: N-[(1S)-4-[[amino(nitramido)methylene]amino]-1-(hydroxycarbamoyl)butyl]-2-phenyl-acetamide CAS Name: (2S)-5-[[amino(nitramido)methylidene]amino]-N-hydroxy-2-[(1-oxo-2-phenylethyl)amino]pentanamide IUPAC Name: (2S)-5-[[amino(nitramido)methylidene]amino]-N-hydroxy-2-[(2-phenylacetyl)amino]pentanamide Traditional Name: N-[(1S)-4-[[amino(nitramido)methylene]amino]-1-(hydroxycarbamoyl)butyl]-2-phenyl-acetamide Formula: C14H20N6O5 MolecularWeight: 352.3458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)NO

InChI

InChI=1S/C14H20N6O5/c15-14(18-20(24)25)16-8-4-7-11(13(22)19-23)17-12(21)9-10-5-2-1-3-6-10/h1-3,5-6,11,23H,4,7-9H2,(H,17,21)(H,19,22)(H3,15,16,18)/t11-/m0/s1