2-azanyl-6-[[(E)-C-methyl-N-(phenylcarbonyloxymethyl)carbonimidoyl]-oxidanyl-amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[(E)-C-methyl-N-(phenylcarbonyloxymethyl)carbonimidoyl]-oxidanyl-amino]hexanoic acid Openeye Name: 2-amino-6-[[(E)-N-(benzoyloxymethyl)-C-methyl-carbonimidoyl]-hydroxy-amino]hexanoic acid CAS Name: 2-amino-6-[[(1E)-1-(benzoyloxymethylimino)ethyl]-hydroxyamino]hexanoic acid IUPAC Name: 2-amino-6-[[(E)-N-(benzoyloxymethyl)-C-methylcarbonimidoyl]-hydroxyamino]hexanoic acid Traditional Name: 2-amino-6-[[(E)-N-(benzoyloxymethyl)-C-methyl-carbonimidoyl]-hydroxy-amino]hexanoic acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCOC(=O)C1=CC=CC=C1)N(CCCCC(C(=O)O)N)O

Isomeric SMILES

C/C(=N\COC(=O)C1=CC=CC=C1)/N(CCCCC(C(=O)O)N)O

InChI

InChI=1S/C16H23N3O5/c1-12(19(23)10-6-5-9-14(17)15(20)21)18-11-24-16(22)13-7-3-2-4-8-13/h2-4,7-8,14,23H,5-6,9-11,17H2,1H3,(H,20,21)/b18-12+