8-[[2,3-bis(oxidanyl)-3-phenyl-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[2,3-bis(oxidanyl)-3-phenyl-propanoyl]amino]octanoic acid Openeye Name: 8-[(2,3-dihydroxy-3-phenyl-propanoyl)amino]octanoic acid CAS Name: 8-[(2,3-dihydroxy-1-oxo-3-phenylpropyl)amino]octanoic acid IUPAC Name: 8-[(2,3-dihydroxy-3-phenylpropanoyl)amino]octanoic acid Traditional Name: 8-[(2,3-dihydroxy-3-phenyl-propanoyl)amino]caprylic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)NCCCCCCCC(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)NCCCCCCCC(=O)O)O)O

InChI

InChI=1S/C17H25NO5/c19-14(20)11-7-2-1-3-8-12-18-17(23)16(22)15(21)13-9-5-4-6-10-13/h4-6,9-10,15-16,21-22H,1-3,7-8,11-12H2,(H,18,23)(H,19,20)