2-azanylbutanedioic acid; 2-[[4-(dimethylaminomethyl)phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-[[4-(dimethylaminomethyl)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-[[4-(dimethylaminomethyl)benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-aminobutanedioic acid; 2-[[[4-(dimethylaminomethyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-[[4-(dimethylaminomethyl)benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-aminosuccinic acid; 2-[[4-(dimethylaminomethyl)benzoyl]amino]-3-methyl-butyric acid Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(C)C.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(C)C.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H22N2O3.C4H7NO4/c1-10(2)13(15(19)20)16-14(18)12-7-5-11(6-8-12)9-17(3)4;5-2(4(8)9)1-3(6)7/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,19,20);2H,1,5H2,(H,6,7)(H,8,9)