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

Systemtic Name: 1-[2,6-bis(azanyl)-2-(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)hexanoyl]azocane-2-carboxylic acid Openeye Name: 1-[2,6-diamino-2-(1-methoxycarbonyl-3-phenyl-propyl)hexanoyl]azocane-2-carboxylic acid CAS Name: 1-[2,6-diamino-2-(1-methoxy-1-oxo-4-phenylbutan-2-yl)-1-oxohexyl]-2-azocanecarboxylic acid IUPAC Name: 1-[2,6-diamino-2-(1-methoxy-1-oxo-4-phenylbutan-2-yl)hexanoyl]azocane-2-carboxylic acid Traditional Name: 1-[2,6-diamino-2-(1-carbomethoxy-3-phenyl-propyl)hexanoyl]azocane-2-carboxylic acid Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)C(CCCCN)(C(=O)N2CCCCCCC2C(=O)O)N

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)C(CCCCN)(C(=O)N2CCCCCCC2C(=O)O)N

InChI

InChI=1S/C25H39N3O5/c1-33-23(31)20(15-14-19-11-5-4-6-12-19)25(27,16-8-9-17-26)24(32)28-18-10-3-2-7-13-21(28)22(29)30/h4-6,11-12,20-21H,2-3,7-10,13-18,26-27H2,1H3,(H,29,30)