[2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]oxy-3-carboxy-4-oxo-pentyl]-trimethyl-ammonium CAS Name: [2-[(2S,3R)-2-amino-3-hydroxy-1-oxobutoxy]-3-carboxy-4-oxopentyl]-trimethylammonium IUPAC Name: [2-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy-3-carboxy-4-oxopentyl]-trimethylazanium Traditional Name: [2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]oxy-3-carboxy-4-keto-pentyl]-trimethyl-ammonium Formula: C13H25N2O6+ MolecularWeight: 305.3474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O6/c1-7(16)10(12(18)19)9(6-15(3,4)5)21-13(20)11(14)8(2)17/h8-11,17H,6,14H2,1-5H3/p+1/t8-,9?,10?,11+/m1/s1