2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-[3-[pyridin-2-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]propyl]chromen-6-yl]propanoic acid

Systemtic Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-[3-[pyridin-2-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]propyl]chromen-6-yl]propanoic acid Openeye Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxo-2-[3-[2-pyridyl(2,2,2-trichloroethoxycarbonyl)amino]propyl]chromen-6-yl]propanoic acid CAS Name: 2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[4-oxo-2-[3-[[oxo(2,2,2-trichloroethoxy)methyl]-(2-pyridinyl)amino]propyl]-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxo-2-[3-[pyridin-2-yl(2,2,2-trichloroethoxycarbonyl)amino]propyl]chromen-6-yl]propanoic acid Traditional Name: 3-[4-keto-2-[3-[2-pyridyl(2,2,2-trichloroethoxycarbonyl)amino]propyl]chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C29H32Cl3N3O8 MolecularWeight: 656.93868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCN(C3=CC=CC=N3)C(=O)OCC(Cl)(Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCN(C3=CC=CC=N3)C(=O)OCC(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C29H32Cl3N3O8/c1-28(2,3)16-41-26(39)34-21(25(37)38)14-18-9-10-23-20(13-18)22(36)15-19(43-23)7-6-12-35(24-8-4-5-11-33-24)27(40)42-17-29(30,31)32/h4-5,8-11,13,15,21H,6-7,12,14,16-17H2,1-3H3,(H,34,39)(H,37,38)