2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[(5-methyl-4-phenyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C35H33N3O3S MolecularWeight: 575.71982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C35H33N3O3S/c1-25-32(29-15-9-4-10-16-29)37-35(42-25)38(22-21-26-11-5-2-6-12-26)24-28-17-19-30(20-18-28)33(39)36-31(34(40)41)23-27-13-7-3-8-14-27/h2-20,31H,21-24H2,1H3,(H,36,39)(H,40,41)