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

Systemtic Name: [2-[(2S)-2-azanyl-4-methyl-pentanoyl]oxy-3-carboxy-4-oxidanylidene-hexyl]-trimethyl-azanium Openeye Name: [2-[(2S)-2-amino-4-methyl-pentanoyl]oxy-3-carboxy-4-oxo-hexyl]-trimethyl-ammonium CAS Name: [2-[(2S)-2-amino-4-methyl-1-oxopentoxy]-3-carboxy-4-oxohexyl]-trimethylammonium IUPAC Name: [2-[(2S)-2-amino-4-methylpentanoyl]oxy-3-carboxy-4-oxohexyl]-trimethylazanium Traditional Name: [2-[(2S)-2-amino-4-methyl-pentanoyl]oxy-3-carboxy-4-keto-hexyl]-trimethyl-ammonium Formula: C16H31N2O5+ MolecularWeight: 331.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N2O5/c1-7-12(19)14(15(20)21)13(9-18(4,5)6)23-16(22)11(17)8-10(2)3/h10-11,13-14H,7-9,17H2,1-6H3/p+1/t11-,13?,14?/m0/s1