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

Systemtic Name: (2S)-6-azanyl-2-[[(Z)-C-methyl-N-(phenylcarbonyloxymethyl)carbonimidoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(Z)-N-(benzoyloxymethyl)-C-methyl-carbonimidoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(1Z)-1-(benzoyloxymethylimino)ethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(Z)-N-(benzoyloxymethyl)-C-methylcarbonimidoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(Z)-N-(benzoyloxymethyl)-C-methyl-carbonimidoyl]amino]hexanoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCOC(=O)C1=CC=CC=C1)NC(CCCCN)C(=O)O

Isomeric SMILES

C/C(=N/COC(=O)C1=CC=CC=C1)/N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-12(19-14(15(20)21)9-5-6-10-17)18-11-23-16(22)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11,17H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1