(2S)-2-[(2,4-dichlorophenyl)carbonyl-[[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(2,4-dichlorophenyl)carbonyl-[[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2,4-dichlorobenzoyl)-[[5-[3-(trifluoromethyl)phenyl]thiazol-2-yl]methyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]-[[5-[3-(trifluoromethyl)phenyl]-2-thiazolyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2,4-dichlorobenzoyl)-[[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)-[[5-[3-(trifluoromethyl)phenyl]thiazol-2-yl]methyl]amino]-3-phenyl-propionic acid Formula: C27H19Cl2F3N2O3S MolecularWeight: 579.41757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=NC=C(S2)C3=CC(=CC=C3)C(F)(F)F)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N(CC2=NC=C(S2)C3=CC(=CC=C3)C(F)(F)F)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H19Cl2F3N2O3S/c28-19-9-10-20(21(29)13-19)25(35)34(22(26(36)37)11-16-5-2-1-3-6-16)15-24-33-14-23(38-24)17-7-4-8-18(12-17)27(30,31)32/h1-10,12-14,22H,11,15H2,(H,36,37)/t22-/m0/s1