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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-methylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]propionic acid Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(C)C2=NC(=CS2)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(C)C2=NC(=CS2)C(C)(C)C

InChI

InChI=1S/C19H25N3O3S/c1-12(17(24)25)20-16(23)14-8-6-13(7-9-14)10-22(5)18-21-15(11-26-18)19(2,3)4/h6-9,11-12H,10H2,1-5H3,(H,20,23)(H,24,25)