[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]azanium; 2-[3-(4-methylphenyl)carbonylphenoxy]propanoate

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]azanium; 2-[3-(4-methylphenyl)carbonylphenoxy]propanoate Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]ammonium; 2-[3-(4-methylbenzoyl)phenoxy]propanoate CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]ammonium; 2-[3-[(4-methylphenyl)-oxomethyl]phenoxy]propanoate IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]azanium; 2-[3-(4-methylbenzoyl)phenoxy]propanoate Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]ammonium; 2-(3-p-toluoylphenoxy)propionate Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OC(C)C(=O)[O-].C(CCN)CC(C(=O)O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OC(C)C(=O)[O-].C(CCN)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C17H16O4.C6H14N2O2/c1-11-6-8-13(9-7-11)16(18)14-4-3-5-15(10-14)21-12(2)17(19)20;7-4-2-1-3-5(8)6(9)10/h3-10,12H,1-2H3,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1