[(5S)-5-[[(2S)-2-azaniumyl-5-[[azanyl(nitramido)methylidene]amino]pentanoyl]-methyl-amino]-6-azanyl-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(5S)-5-[[(2S)-2-azaniumyl-5-[[azanyl(nitramido)methylidene]amino]pentanoyl]-methyl-amino]-6-azanyl-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(5S)-6-amino-5-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-azaniumyl-pentanoyl]-methyl-amino]-6-oxo-hexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(5S)-6-amino-5-[[(2S)-5-[[amino(nitramido)methylidene]amino]-2-ammonio-1-oxopentyl]-methylamino]-6-oxohexyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(5S)-6-amino-5-[[(2S)-5-[[amino(nitramido)methylidene]amino]-2-azaniumylpentanoyl]-methylamino]-6-oxohexyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(5S)-6-amino-5-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-ammonio-pentanoyl]-methyl-amino]-6-keto-hexyl]ammonium; 2,2,2-trifluoroacetate Formula: C17H30F6N8O8 MolecularWeight: 588.459319

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCC[NH3+])C(=O)N)C(=O)C(CCCN=C(N)N[N+](=O)[O-])[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CN([C@@H](CCCC[NH3+])C(=O)N)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H28N8O4.2C2HF3O2/c1-20(10(11(16)22)6-2-3-7-14)12(23)9(15)5-4-8-18-13(17)19-21(24)25;2*3-2(4,5)1(6)7/h9-10H,2-8,14-15H2,1H3,(H2,16,22)(H3,17,18,19);2*(H,6,7)/t9-,10-;;/m0../s1