tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrazin-2-ylcarbonyl-amino]propanoate

Systemtic Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrazin-2-ylcarbonyl-amino]propanoate Openeye Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[p-tolylsulfonyl(pyrazine-2-carbonyl)amino]propanoate CAS Name: (2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrazinyl)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(4-methylphenyl)sulfonyl-(pyrazine-2-carbonyl)amino]propanoate Traditional Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[pyrazinoyl(tosyl)amino]propionic acid tert-butyl ester Formula: C28H32N4O7S MolecularWeight: 568.64128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)(C)C)C(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)OC(C)(C)C)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C28H32N4O7S/c1-19-7-13-22(14-8-19)40(36,37)32(25(33)23-18-29-15-16-30-23)24(26(34)39-28(2,3)4)17-20-9-11-21(12-10-20)38-27(35)31(5)6/h7-16,18,24H,17H2,1-6H3/t24-/m0/s1