potassium; 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: potassium; 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: potassium; 3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: potassium; 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: potassium; 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: potassium; 3-amino-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyrate; 3-hydroxy-4-(trimethylammonio)butyrate Formula: C21H32KN3O8 MolecularWeight: 493.59238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)[O-])N.[K+]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)[O-])N.[K+]

InChI

InChI=1S/C14H18N2O5.C7H15NO3.K/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;1-8(2,3)5-6(9)4-7(10)11;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);6,9H,4-5H2,1-3H3;/q;;+1/p-1