4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate phosphate

Systemtic Name: 4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate phosphate Openeye Name: 4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate phosphate CAS Name: 4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylate phosphate IUPAC Name: 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate phosphate Traditional Name: 4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate phosphate Formula: C14H23N2O8P-4 MolecularWeight: 378.314781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H24N2O4.H3O4P/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17;1-5(2,3)4/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19);(H3,1,2,3,4)/p-4