[2-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-3-carboxy-4-oxidanylidene-hexyl]-trimethyl-azanium

Systemtic Name: [2-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-3-carboxy-4-oxidanylidene-hexyl]-trimethyl-azanium Openeye Name: [2-[(2S)-2-amino-3-phenyl-propanoyl]oxy-3-carboxy-4-oxo-hexyl]-trimethyl-ammonium CAS Name: [2-[(2S)-2-amino-1-oxo-3-phenylpropoxy]-3-carboxy-4-oxohexyl]-trimethylammonium IUPAC Name: [2-[(2S)-2-amino-3-phenylpropanoyl]oxy-3-carboxy-4-oxohexyl]-trimethylazanium Traditional Name: [2-[(2S)-2-amino-3-phenyl-propanoyl]oxy-3-carboxy-4-keto-hexyl]-trimethyl-ammonium Formula: C19H29N2O5+ MolecularWeight: 365.44396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C[N+](C)(C)C)OC(=O)C(CC1=CC=CC=C1)N)C(=O)O

Isomeric SMILES

CCC(=O)C(C(C[N+](C)(C)C)OC(=O)[C@H](CC1=CC=CC=C1)N)C(=O)O

InChI

InChI=1S/C19H28N2O5/c1-5-15(22)17(18(23)24)16(12-21(2,3)4)26-19(25)14(20)11-13-9-7-6-8-10-13/h6-10,14,16-17H,5,11-12,20H2,1-4H3/p+1/t14-,16?,17?/m0/s1