1-[2,6-bis(azanyl)-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)hexanoyl]azonane-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)hexanoyl]azonane-2-carboxylic acid Openeye Name: 1-[2,6-diamino-2-(1-carboxy-3-phenyl-propyl)hexanoyl]azonane-2-carboxylic acid CAS Name: 1-[2,6-diamino-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-1-oxohexyl]-2-azonanecarboxylic acid IUPAC Name: 1-[2,6-diamino-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)hexanoyl]azonane-2-carboxylic acid Traditional Name: 1-[2,6-diamino-2-(1-carboxy-3-phenyl-propyl)hexanoyl]azonane-2-carboxylic acid Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(N(CCC1)C(=O)C(CCCCN)(C(CCC2=CC=CC=C2)C(=O)O)N)C(=O)O

Isomeric SMILES

C1CCCC(N(CCC1)C(=O)C(CCCCN)(C(CCC2=CC=CC=C2)C(=O)O)N)C(=O)O

InChI

InChI=1S/C25H39N3O5/c26-17-9-8-16-25(27,20(22(29)30)15-14-19-11-5-4-6-12-19)24(33)28-18-10-3-1-2-7-13-21(28)23(31)32/h4-6,11-12,20-21H,1-3,7-10,13-18,26-27H2,(H,29,30)(H,31,32)