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

Systemtic Name: 2-[[4-[[(2-fluorophenyl)-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[(2-fluoro-N-(5-methyl-4-phenyl-thiazol-2-yl)anilino)methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[(2-fluoro-N-(5-methyl-4-phenyl-2-thiazolyl)anilino)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(2-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)anilino)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[(2-fluoro-N-(5-methyl-4-phenyl-thiazol-2-yl)anilino)methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C29H28FN3O3S MolecularWeight: 517.614323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N(CC2=CC=C(C=C2)C(=O)NC(C(C)C)C(=O)O)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(S1)N(CC2=CC=C(C=C2)C(=O)NC(C(C)C)C(=O)O)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C29H28FN3O3S/c1-18(2)25(28(35)36)31-27(34)22-15-13-20(14-16-22)17-33(24-12-8-7-11-23(24)30)29-32-26(19(3)37-29)21-9-5-4-6-10-21/h4-16,18,25H,17H2,1-3H3,(H,31,34)(H,35,36)