4-[[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]methyl]-N-[(3S)-1-[bis(azanyl)methylidene]-2-oxidanyl-piperidin-1-ium-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]methyl]-N-[(3S)-1-[bis(azanyl)methylidene]-2-oxidanyl-piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-[[[(2S)-2-amino-5-guanidino-pentanoyl]amino]methyl]-N-[(3S)-1-(diaminomethylene)-2-hydroxy-piperidin-1-ium-3-yl]cyclohexanecarboxamide CAS Name: 4-[[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]methyl]-N-[(3S)-1-(diaminomethylidene)-2-hydroxy-3-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]-N-[(3S)-1-(diaminomethylidene)-2-hydroxypiperidin-1-ium-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-[[[(2S)-2-amino-5-guanidino-pentanoyl]amino]methyl]-N-[(3S)-1-(diaminomethylene)-2-hydroxy-piperidin-1-ium-3-yl]cyclohexanecarboxamide Formula: C20H40N9O3+ MolecularWeight: 454.5901

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([N+](=C(N)N)C1)O)NC(=O)C2CCC(CC2)CNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1C[C@@H](C([N+](=C(N)N)C1)O)NC(=O)C2CCC(CC2)CNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C20H39N9O3/c21-14(3-1-9-26-19(22)23)17(31)27-11-12-5-7-13(8-6-12)16(30)28-15-4-2-10-29(18(15)32)20(24)25/h12-15,18,32H,1-11,21H2,(H9,22,23,24,25,26,27,28,30,31)/p+1/t12?,13?,14-,15-,18?/m0/s1