3-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-propylthiazol-4-yl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(2-propyl-4-thiazolyl)methylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methylamino]butanoic acid Traditional Name: 3-methyl-2-[(2-propylthiazol-4-yl)methylamino]butyric acid Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CNC(C(C)C)C(=O)O

Isomeric SMILES

CCCC1=NC(=CS1)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C12H20N2O2S/c1-4-5-10-14-9(7-17-10)6-13-11(8(2)3)12(15)16/h7-8,11,13H,4-6H2,1-3H3,(H,15,16)