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

Systemtic Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylthiazol-2-yl)-ethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butyl-2-thiazolyl)-ethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-ethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=O)O)C2=NC(=CS2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-5-23(19-22-16(13-27-19)20(2,3)4)12-14-6-8-15(9-7-14)18(26)21-11-10-17(24)25/h6-9,13H,5,10-12H2,1-4H3,(H,21,26)(H,24,25)