(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(2-methyl-1-phenyl-propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(2-methyl-1-phenyl-propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: (2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[4-[(2-methyl-1-phenylpropan-2-yl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(2-methyl-1-phenylpropan-2-yl)amino]-1,3,5-triazin-2-yl]amino]propanoic acid Traditional Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-[(1,1-dimethyl-2-phenyl-ethyl)amino]-s-triazin-2-yl]amino]propionic acid Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NC2=NC=NC(=N2)NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NC2=NC=NC(=N2)N[C@@H](CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C25H30N6O4/c1-25(2,15-18-8-6-5-7-9-18)30-23-27-16-26-22(29-23)28-20(21(32)33)14-17-10-12-19(13-11-17)35-24(34)31(3)4/h5-13,16,20H,14-15H2,1-4H3,(H,32,33)(H2,26,27,28,29,30)/t20-/m0/s1