tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoate

Systemtic Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoate Openeye Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoate CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[oxo-[1-(2-pyrimidinylsulfonyl)-2-pyrrolidinyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(2-pyrimidylsulfonyl)prolyl]amino]propionic acid tert-butyl ester Formula: C25H33N5O7S MolecularWeight: 547.62382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C2CCCN2S(=O)(=O)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C2CCCN2S(=O)(=O)C3=NC=CC=N3

InChI

InChI=1S/C25H33N5O7S/c1-25(2,3)37-22(32)19(16-17-9-11-18(12-10-17)36-24(33)29(4)5)28-21(31)20-8-6-15-30(20)38(34,35)23-26-13-7-14-27-23/h7,9-14,19-20H,6,8,15-16H2,1-5H3,(H,28,31)