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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C26H31N3O3S/c1-5-29(25-28-22(17-33-25)26(2,3)4)16-19-11-13-20(14-12-19)23(30)27-21(24(31)32)15-18-9-7-6-8-10-18/h6-14,17,21H,5,15-16H2,1-4H3,(H,27,30)(H,31,32)