3-azaniumyl-4-[(1-methoxycarbonylcyclohexyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-azaniumyl-4-[(1-methoxycarbonylcyclohexyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-azaniumyl-4-[(1-methoxycarbonylcyclohexyl)amino]-4-oxo-butanoate CAS Name: 3-ammonio-4-[(1-methoxycarbonylcyclohexyl)amino]-4-oxobutanoate IUPAC Name: 3-azaniumyl-4-[(1-methoxycarbonylcyclohexyl)amino]-4-oxobutanoate Traditional Name: 3-ammonio-4-[(1-carbomethoxycyclohexyl)amino]-4-keto-butyrate Formula: C12H20N2O5 MolecularWeight: 272.2976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C(CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H20N2O5/c1-19-11(18)12(5-3-2-4-6-12)14-10(17)8(13)7-9(15)16/h8H,2-7,13H2,1H3,(H,14,17)(H,15,16)