2-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-1-methyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-1-methyl-1,2-diazinane-3-carboxylic acid Openeye Name: 2-[6-amino-2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]-1-methyl-hexahydropyridazine-3-carboxylic acid CAS Name: 2-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-1-methyl-3-diazinanecarboxylic acid IUPAC Name: 2-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]-1-methyldiazinane-3-carboxylic acid Traditional Name: 2-[6-amino-2-[(1-carbethoxy-3-phenyl-propyl)amino]hexanoyl]-1-methyl-hexahydropyridazine-3-carboxylic acid Formula: C24H38N4O5 MolecularWeight: 462.58232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2C(CCCN2C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2C(CCCN2C)C(=O)O

InChI

InChI=1S/C24H38N4O5/c1-3-33-24(32)20(15-14-18-10-5-4-6-11-18)26-19(12-7-8-16-25)22(29)28-21(23(30)31)13-9-17-27(28)2/h4-6,10-11,19-21,26H,3,7-9,12-17,25H2,1-2H3,(H,30,31)