3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazino]propionic acid Formula: C15H25N3O2S MolecularWeight: 311.4429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H25N3O2S/c1-15(2,3)14-16-12(11-21-14)10-18-8-6-17(7-9-18)5-4-13(19)20/h11H,4-10H2,1-3H3,(H,19,20)