6-[bis(azanyl)methylideneamino]-4-(ethoxycarbamoylsulfanyl)hexanoate phosphate

Systemtic Name: 6-[bis(azanyl)methylideneamino]-4-(ethoxycarbamoylsulfanyl)hexanoate phosphate Openeye Name: 4-(ethoxycarbamoylsulfanyl)-6-guanidino-hexanoate phosphate CAS Name: 6-(diaminomethylideneamino)-4-[[(ethoxyamino)-oxomethyl]thio]hexanoate phosphate IUPAC Name: 6-(diaminomethylideneamino)-4-(ethoxycarbamoylsulfanyl)hexanoate phosphate Traditional Name: 4-(ethoxycarbamoylthio)-6-guanidino-hexanoate phosphate Formula: C10H19N4O8PS-4 MolecularWeight: 386.318621

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)SC(CCC(=O)[O-])CCN=C(N)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCONC(=O)SC(CCC(=O)[O-])CCN=C(N)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H20N4O4S.H3O4P/c1-2-18-14-10(17)19-7(3-4-8(15)16)5-6-13-9(11)12;1-5(2,3)4/h7H,2-6H2,1H3,(H,14,17)(H,15,16)(H4,11,12,13);(H3,1,2,3,4)/p-4