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

Systemtic Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[[4-(2-naphthyl)thiazol-2-yl]-phenethyl-amino]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-phenethylamino]methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[[4-(2-naphthyl)thiazol-2-yl]-phenethyl-amino]methyl]benzoyl]amino]acetic acid Formula: C31H27N3O3S MolecularWeight: 521.62938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C(=O)NCC(=O)O)C3=NC(=CS3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C(=O)NCC(=O)O)C3=NC(=CS3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H27N3O3S/c35-29(36)19-32-30(37)25-12-10-23(11-13-25)20-34(17-16-22-6-2-1-3-7-22)31-33-28(21-38-31)27-15-14-24-8-4-5-9-26(24)18-27/h1-15,18,21H,16-17,19-20H2,(H,32,37)(H,35,36)