2-[4-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonyl-methyl-amino]methyl]phenoxy]-3-methyl-butanoic acid hydrochloride

Systemtic Name: 2-[4-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonyl-methyl-amino]methyl]phenoxy]-3-methyl-butanoic acid hydrochloride Openeye Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]-methyl-amino]methyl]phenoxy]-3-methyl-butanoic acid hydrochloride CAS Name: 2-[4-[[[[3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]-oxomethyl]-methylamino]methyl]phenoxy]-3-methylbutanoic acid hydrochloride IUPAC Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]-methylamino]methyl]phenoxy]-3-methylbutanoic acid hydrochloride Traditional Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]-methyl-amino]methyl]phenoxy]-3-methyl-butyric acid hydrochloride Formula: C27H33ClF3N3O5S MolecularWeight: 604.08123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=CC=C(C=C1)CN(C)C(=O)C2N(CCS2)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.Cl

Isomeric SMILES

CC(C)C(C(=O)O)OC1=CC=C(C=C1)CN(C)C(=O)C2N(CCS2)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.Cl

InChI

InChI=1S/C27H32F3N3O5S.ClH/c1-15(2)24(27(36)37)38-19-6-4-16(5-7-19)14-32(3)25(35)26-33(8-9-39-26)23(34)12-18(31)10-17-11-21(29)22(30)13-20(17)28;/h4-7,11,13,15,18,24,26H,8-10,12,14,31H2,1-3H3,(H,36,37);1H/t18-,24?,26?;/m1./s1