(2S)-2-azanyl-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2S)-2,3-dinitrooxypropyl]amino]-5-keto-valeric acid Formula: C8H14N4O9 MolecularWeight: 310.21816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N4O9/c9-6(8(14)15)1-2-7(13)10-3-5(21-12(18)19)4-20-11(16)17/h5-6H,1-4,9H2,(H,10,13)(H,14,15)/t5-,6-/m0/s1