2-azanyl-4-[3-chloranyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]ethoxy]phenyl]-2-cyclobutyl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[3-chloranyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]ethoxy]phenyl]-2-cyclobutyl-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[3-[2-[tert-butoxycarbonyl(4-pyridyl)amino]ethoxy]-5-chloro-phenyl]-2-cyclobutyl-4-oxo-butanoic acid CAS Name: 2-amino-4-[3-chloro-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-pyridin-4-ylamino]ethoxy]phenyl]-2-cyclobutyl-4-oxobutanoic acid IUPAC Name: 2-amino-4-[3-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-ylamino]ethoxy]phenyl]-2-cyclobutyl-4-oxobutanoic acid Traditional Name: 2-amino-4-[3-[2-[tert-butoxycarbonyl(4-pyridyl)amino]ethoxy]-5-chloro-phenyl]-2-cyclobutyl-4-keto-butyric acid Formula: C26H32ClN3O6 MolecularWeight: 518.00178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC1=CC(=CC(=C1)C(=O)CC(C2CCC2)(C(=O)O)N)Cl)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC1=CC(=CC(=C1)C(=O)CC(C2CCC2)(C(=O)O)N)Cl)C3=CC=NC=C3

InChI

InChI=1S/C26H32ClN3O6/c1-25(2,3)36-24(34)30(20-7-9-29-10-8-20)11-12-35-21-14-17(13-19(27)15-21)22(31)16-26(28,23(32)33)18-5-4-6-18/h7-10,13-15,18H,4-6,11-12,16,28H2,1-3H3,(H,32,33)