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

Systemtic Name: 2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[[4-(4-fluorophenyl)thiazol-2-yl]-phenethyl-amino]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[4-(4-fluorophenyl)-2-thiazolyl]-phenethylamino]methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-phenethylamino]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[[4-(4-fluorophenyl)thiazol-2-yl]-phenethyl-amino]methyl]benzoyl]amino]acetic acid Formula: C27H24FN3O3S MolecularWeight: 489.561163

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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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3O3S/c28-23-12-10-21(11-13-23)24-18-35-27(30-24)31(15-14-19-4-2-1-3-5-19)17-20-6-8-22(9-7-20)26(34)29-16-25(32)33/h1-13,18H,14-17H2,(H,29,34)(H,32,33)