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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(phenylmethyl)amino]-6-[(4-sulfamoylphenyl)methylamino]-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: 2-[[4-(benzylamino)-6-[(4-sulfamoylphenyl)methylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[4-[(phenylmethyl)amino]-6-[(4-sulfamoylphenyl)methylamino]-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[4-(benzylamino)-6-[(4-sulfamoylphenyl)methylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-(benzylamino)-6-[(4-sulfamoylbenzyl)amino]-s-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C29H32N8O6S MolecularWeight: 620.67938

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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=C(C=C3)S(=O)(=O)N)NCC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)NCC4=CC=CC=C4

InChI

InChI=1S/C29H32N8O6S/c1-37(2)29(40)43-22-12-8-19(9-13-22)16-24(25(38)39)33-28-35-26(31-17-20-6-4-3-5-7-20)34-27(36-28)32-18-21-10-14-23(15-11-21)44(30,41)42/h3-15,24H,16-18H2,1-2H3,(H,38,39)(H2,30,41,42)(H3,31,32,33,34,35,36)