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

Systemtic Name: 8-azanyl-2-[2,3-bis(oxidanyl)-3-phenyl-propanoyl]octanoic acid Openeye Name: 8-amino-2-(2,3-dihydroxy-3-phenyl-propanoyl)octanoic acid CAS Name: 8-amino-2-(2,3-dihydroxy-1-oxo-3-phenylpropyl)octanoic acid IUPAC Name: 8-amino-2-(2,3-dihydroxy-3-phenylpropanoyl)octanoic acid Traditional Name: 8-amino-2-(2,3-dihydroxy-3-phenyl-propanoyl)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)C(CCCCCCN)C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)C(CCCCCCN)C(=O)O)O)O

InChI

InChI=1S/C17H25NO5/c18-11-7-2-1-6-10-13(17(22)23)15(20)16(21)14(19)12-8-4-3-5-9-12/h3-5,8-9,13-14,16,19,21H,1-2,6-7,10-11,18H2,(H,22,23)