5-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,5-oxazonane-6-carboxylic acid

Systemtic Name: 5-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,5-oxazonane-6-carboxylic acid Openeye Name: 5-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-1,5-oxazonane-6-carboxylic acid CAS Name: 5-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,5-oxazonane-6-carboxylic acid IUPAC Name: 5-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,5-oxazonane-6-carboxylic acid Traditional Name: 5-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-1,5-oxazonane-6-carboxylic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCOCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCOCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O6/c1-15(22-17(20(25)26)11-10-16-7-3-2-4-8-16)19(24)23-12-6-14-29-13-5-9-18(23)21(27)28/h2-4,7-8,15,17-18,22H,5-6,9-14H2,1H3,(H,25,26)(H,27,28)