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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propionic acid Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C26H31N3O3S/c1-18(24(31)32)27-23(30)21-12-10-20(11-13-21)16-29(15-14-19-8-6-5-7-9-19)25-28-22(17-33-25)26(2,3)4/h5-13,17-18H,14-16H2,1-4H3,(H,27,30)(H,31,32)