4-acetamido-5-[bis(azanyl)methylideneamino]-3-propoxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-acetamido-5-[bis(azanyl)methylideneamino]-3-propoxy-cyclohexene-1-carboxylic acid Openeye Name: 4-acetamido-5-guanidino-3-propoxy-cyclohexene-1-carboxylic acid CAS Name: 4-acetamido-5-(diaminomethylideneamino)-3-propoxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-acetamido-5-(diaminomethylideneamino)-3-propoxycyclohexene-1-carboxylic acid Traditional Name: 4-acetamido-5-guanidino-3-propoxy-cyclohexene-1-carboxylic acid Formula: C13H22N4O4 MolecularWeight: 298.33818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(CC(C1NC(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

CCCOC1C=C(CC(C1NC(=O)C)N=C(N)N)C(=O)O

InChI

InChI=1S/C13H22N4O4/c1-3-4-21-10-6-8(12(19)20)5-9(17-13(14)15)11(10)16-7(2)18/h6,9-11H,3-5H2,1-2H3,(H,16,18)(H,19,20)(H4,14,15,17)