5-(2,2-dimethylpropoxycarbonylamino)-4-[3-ethanoyl-4-[4-[pyridin-2-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]butanoyloxy]phenyl]pentanoic acid

Systemtic Name: 5-(2,2-dimethylpropoxycarbonylamino)-4-[3-ethanoyl-4-[4-[pyridin-2-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]butanoyloxy]phenyl]pentanoic acid Openeye Name: 4-[3-acetyl-4-[4-[2-pyridyl(2,2,2-trichloroethoxycarbonyl)amino]butanoyloxy]phenyl]-5-(2,2-dimethylpropoxycarbonylamino)pentanoic acid CAS Name: 4-[3-acetyl-4-[1-oxo-4-[[oxo(2,2,2-trichloroethoxy)methyl]-(2-pyridinyl)amino]butoxy]phenyl]-5-[[2,2-dimethylpropoxy(oxo)methyl]amino]pentanoic acid IUPAC Name: 4-[3-acetyl-4-[4-[pyridin-2-yl(2,2,2-trichloroethoxycarbonyl)amino]butanoyloxy]phenyl]-5-(2,2-dimethylpropoxycarbonylamino)pentanoic acid Traditional Name: 4-[3-acetyl-4-[4-[2-pyridyl(2,2,2-trichloroethoxycarbonyl)amino]butanoyloxy]phenyl]-5-(neopentyloxycarbonylamino)valeric acid Formula: C31H38Cl3N3O9 MolecularWeight: 703.00712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C(CCC(=O)O)CNC(=O)OCC(C)(C)C)OC(=O)CCCN(C2=CC=CC=N2)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C(CCC(=O)O)CNC(=O)OCC(C)(C)C)OC(=O)CCCN(C2=CC=CC=N2)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C31H38Cl3N3O9/c1-20(38)23-16-21(22(11-13-26(39)40)17-36-28(42)44-18-30(2,3)4)10-12-24(23)46-27(41)9-7-15-37(25-8-5-6-14-35-25)29(43)45-19-31(32,33)34/h5-6,8,10,12,14,16,22H,7,9,11,13,15,17-19H2,1-4H3,(H,36,42)(H,39,40)