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

Systemtic Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoate Openeye Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(3-pyridylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[oxo-[1-(3-pyridinylsulfonyl)-2-pyrrolidinyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-3-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(3-pyridylsulfonyl)prolyl]amino]propionic acid tert-butyl ester Formula: C26H34N4O7S MolecularWeight: 546.63576

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O7S/c1-26(2,3)37-24(32)21(16-18-10-12-19(13-11-18)36-25(33)29(4)5)28-23(31)22-9-7-15-30(22)38(34,35)20-8-6-14-27-17-20/h6,8,10-14,17,21-22H,7,9,15-16H2,1-5H3,(H,28,31)