2-azanylbutanedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine

Systemtic Name: 2-azanylbutanedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Openeye Name: 2-aminobutanedioic acid; 1-(2-isopropylthiazol-4-yl)-N-methyl-methanamine CAS Name: 2-aminobutanedioic acid; N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine IUPAC Name: 2-aminobutanedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Traditional Name: 2-aminosuccinic acid; (2-isopropylthiazol-4-yl)methyl-methyl-amine Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CNC.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=CS1)CNC.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H14N2S.C4H7NO4/c1-6(2)8-10-7(4-9-3)5-11-8;5-2(4(8)9)1-3(6)7/h5-6,9H,4H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9)