(2S)-5-[azanyl(nitramido)methylidene]azaniumyl-2-(furan-2-ylcarbonylamino)pentanoate

Systemtic Name: (2S)-5-[azanyl(nitramido)methylidene]azaniumyl-2-(furan-2-ylcarbonylamino)pentanoate Openeye Name: (2S)-5-[amino(nitramido)methylene]ammonio-2-(furan-2-carbonylamino)pentanoate CAS Name: (2S)-5-[amino(nitramido)methylidene]ammonio-2-[[2-furanyl(oxo)methyl]amino]pentanoate IUPAC Name: (2S)-5-[amino(nitramido)methylidene]azaniumyl-2-(furan-2-carbonylamino)pentanoate Traditional Name: (2S)-5-[amino(nitramido)methylene]ammonio-2-(2-furoylamino)valerate Formula: C11H15N5O6 MolecularWeight: 313.2667

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(CCC[NH+]=C(N)N[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)N[C@@H](CCC/[NH+]=C(\N)/N[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H15N5O6/c12-11(15-16(20)21)13-5-1-3-7(10(18)19)14-9(17)8-4-2-6-22-8/h2,4,6-7H,1,3,5H2,(H,14,17)(H,18,19)(H3,12,13,15)/t7-/m0/s1