2-[[5-[bis-(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[5-[bis-(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[5-[bis(p-tolylsulfonyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[5-[bis-(4-methylphenyl)sulfonylamino]-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[5-[bis-(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(ditosylamino)pyrimidin-4-yl]amino]propionic acid Formula: C30H31N5O8S2 MolecularWeight: 653.72584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H31N5O8S2/c1-20-5-13-24(14-6-20)44(39,40)35(45(41,42)25-15-7-21(2)8-16-25)27-18-31-19-32-28(27)33-26(29(36)37)17-22-9-11-23(12-10-22)43-30(38)34(3)4/h5-16,18-19,26H,17H2,1-4H3,(H,36,37)(H,31,32,33)