3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: 2-[[4-(benzylamino)-6-[methyl(3-pyridylmethyl)amino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[4-[methyl(3-pyridinylmethyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[4-(benzylamino)-6-[methyl(pyridin-3-ylmethyl)amino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-(benzylamino)-6-[methyl(3-pyridylmethyl)amino]-s-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C29H32N8O4 MolecularWeight: 556.61558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)N(C)CC4=CN=CC=C4

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)N(C)CC4=CN=CC=C4

InChI

InChI=1S/C29H32N8O4/c1-36(2)29(40)41-23-13-11-20(12-14-23)16-24(25(38)39)32-27-33-26(31-18-21-8-5-4-6-9-21)34-28(35-27)37(3)19-22-10-7-15-30-17-22/h4-15,17,24H,16,18-19H2,1-3H3,(H,38,39)(H2,31,32,33,34,35)