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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-ethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-ethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-ethyl-amino]methyl]benzoyl]amino]propionic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)NC(C)C(=O)O)C2=NC(=CS2)C(C)(C)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)NC(C)C(=O)O)C2=NC(=CS2)C(C)(C)C

InChI

InChI=1S/C20H27N3O3S/c1-6-23(19-22-16(12-27-19)20(3,4)5)11-14-7-9-15(10-8-14)17(24)21-13(2)18(25)26/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)(H,25,26)