6-azanyl-2-[2-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]azepan-1-yl]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]azepan-1-yl]hexanoic acid Openeye Name: 6-amino-2-[3-[(1-carboxy-3-phenyl-propyl)amino]-2-oxo-azepan-1-yl]hexanoic acid CAS Name: 6-amino-2-[3-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-1-azepanyl]hexanoic acid IUPAC Name: 6-amino-2-[3-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxoazepan-1-yl]hexanoic acid Traditional Name: 6-amino-2-[3-[(1-carboxy-3-phenyl-propyl)amino]-2-keto-azepan-1-yl]hexanoic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CCCCN)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CCCCN)C(=O)O

InChI

InChI=1S/C22H33N3O5/c23-14-6-4-11-19(22(29)30)25-15-7-5-10-17(20(25)26)24-18(21(27)28)13-12-16-8-2-1-3-9-16/h1-3,8-9,17-19,24H,4-7,10-15,23H2,(H,27,28)(H,29,30)