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

Systemtic Name: [2-[(2S)-2-azanyl-3-oxidanyl-propanoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [2-[(2S)-2-amino-3-hydroxy-propanoyl]oxy-3-carboxy-4-oxo-pentyl]-trimethyl-ammonium CAS Name: [2-[(2S)-2-amino-3-hydroxy-1-oxopropoxy]-3-carboxy-4-oxopentyl]-trimethylammonium IUPAC Name: [2-[(2S)-2-amino-3-hydroxypropanoyl]oxy-3-carboxy-4-oxopentyl]-trimethylazanium Traditional Name: [2-[(2S)-2-amino-3-hydroxy-propanoyl]oxy-3-carboxy-4-keto-pentyl]-trimethyl-ammonium Formula: C12H23N2O6+ MolecularWeight: 291.32082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O6/c1-7(16)10(11(17)18)9(5-14(2,3)4)20-12(19)8(13)6-15/h8-10,15H,5-6,13H2,1-4H3/p+1/t8-,9?,10?/m0/s1