1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azocane-2-carboxylic acid

Systemtic Name: 1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azocane-2-carboxylic acid Openeye Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]azocane-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-azocanecarboxylic acid IUPAC Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]azocane-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]azocane-2-carboxylic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-15(19(24)23-14-8-3-2-7-11-18(23)21(27)28)22-17(20(25)26)13-12-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,22H,2-3,7-8,11-14H2,1H3,(H,25,26)(H,27,28)