(2S)-2-azanyl-5-[[azanyl-[(3-nitro-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methylidene]amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[azanyl-[(3-nitro-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methylidene]amino]pentanoic acid Openeye Name: (2S)-2-amino-5-[[amino-[[2-hydroxy-1-(nitromethyl)-2-oxo-ethyl]amino]methylene]amino]pentanoic acid CAS Name: (2S)-2-amino-5-[[amino-[(1-hydroxy-3-nitro-1-oxopropan-2-yl)amino]methylidene]amino]pentanoic acid IUPAC Name: (2S)-2-amino-5-[[amino-[(1-hydroxy-3-nitro-1-oxopropan-2-yl)amino]methylidene]amino]pentanoic acid Traditional Name: (2S)-2-amino-5-[[amino-[[2-hydroxy-2-keto-1-(nitromethyl)ethyl]amino]methylene]amino]valeric acid Formula: C9H17N5O6 MolecularWeight: 291.26118

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CN=C(N)NC(C[N+](=O)[O-])C(=O)O

Isomeric SMILES

C(C[C@@H](C(=O)O)N)CN=C(N)NC(C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H17N5O6/c10-5(7(15)16)2-1-3-12-9(11)13-6(8(17)18)4-14(19)20/h5-6H,1-4,10H2,(H,15,16)(H,17,18)(H3,11,12,13)/t5-,6?/m0/s1