(2S)-2-[(1-azaniumylcyclohexyl)carbonylamino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate

Systemtic Name: (2S)-2-[(1-azaniumylcyclohexyl)carbonylamino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate Openeye Name: (2S)-2-[(1-azaniumylcyclohexanecarbonyl)amino]-5-(diaminomethyleneammonio)pentanoate CAS Name: (2S)-2-[[(1-ammoniocyclohexyl)-oxomethyl]amino]-5-(diaminomethylideneammonio)pentanoate IUPAC Name: (2S)-2-[(1-azaniumylcyclohexanecarbonyl)amino]-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2S)-2-[(1-ammoniocyclohexanecarbonyl)amino]-5-(diaminomethyleneammonio)valerate Formula: C13H26N5O3+ MolecularWeight: 300.37724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])[NH3+]

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H25N5O3/c14-12(15)17-8-4-5-9(10(19)20)18-11(21)13(16)6-2-1-3-7-13/h9H,1-8,16H2,(H,18,21)(H,19,20)(H4,14,15,17)/p+1/t9-/m0/s1