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

Systemtic Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(5-methyl-4-phenyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]acetic acid Formula: C28H27N3O3S MolecularWeight: 485.59728

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)NCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-20-26(23-10-6-3-7-11-23)30-28(35-20)31(17-16-21-8-4-2-5-9-21)19-22-12-14-24(15-13-22)27(34)29-18-25(32)33/h2-15H,16-19H2,1H3,(H,29,34)(H,32,33)