[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-[3-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-[3-(phenylcarbonyl)phenyl]propanoate Openeye Name: [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]ammonium; 2-(3-benzoylphenyl)propanoate CAS Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]ammonium; 2-(3-benzoylphenyl)propanoate IUPAC Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]azanium; 2-(3-benzoylphenyl)propanoate Traditional Name: [(5S)-5-amino-6-hydroxy-6-keto-hexyl]ammonium; 2-(3-benzoylphenyl)propionate Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)O)N

InChI

InChI=1S/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1