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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methyl-amino]methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-methylamino]methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N(C)CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N(C)CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H29N3O3S/c1-25(2,3)21-16-32-24(27-21)28(4)15-18-10-12-19(13-11-18)22(29)26-20(23(30)31)14-17-8-6-5-7-9-17/h5-13,16,20H,14-15H2,1-4H3,(H,26,29)(H,30,31)