5-[4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-2,5-dimethyl-piperazin-1-yl]carbonylbenzene-1,3-dicarboxylic acid hydrochloride

Systemtic Name: 5-[4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-2,5-dimethyl-piperazin-1-yl]carbonylbenzene-1,3-dicarboxylic acid hydrochloride Openeye Name: 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,5-dimethyl-piperazine-1-carbonyl]benzene-1,3-dicarboxylic acid hydrochloride CAS Name: 5-[[4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2,5-dimethyl-1-piperazinyl]-oxomethyl]benzene-1,3-dicarboxylic acid hydrochloride IUPAC Name: 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,5-dimethylpiperazine-1-carbonyl]benzene-1,3-dicarboxylic acid hydrochloride Traditional Name: 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,5-dimethyl-piperazine-1-carbonyl]isophthalic acid hydrochloride Formula: C25H27ClF3N3O6 MolecularWeight: 557.94659

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.Cl

Isomeric SMILES

CC1CN(C(CN1C(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.Cl

InChI

InChI=1S/C25H26F3N3O6.ClH/c1-12-11-31(23(33)15-3-16(24(34)35)5-17(4-15)25(36)37)13(2)10-30(12)22(32)8-18(29)6-14-7-20(27)21(28)9-19(14)26;/h3-5,7,9,12-13,18H,6,8,10-11,29H2,1-2H3,(H,34,35)(H,36,37);1H/t12?,13?,18-;/m1./s1