(2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2R)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid CAS Name: (2R)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]propanoic acid IUPAC Name: (2R)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: (2R)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propionic acid Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC(CO)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N[C@H](CO)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c1-6-2-3-8-7(4-6)10(17-9(5-20)11(21)22)19-12(18-8)13(14,15)16/h2-4,9,20H,5H2,1H3,(H,21,22)(H,17,18,19)/t9-/m1/s1