(2S)-2-azanyl-3-[4-[4-azanyl-6-[[4-(3-fluorophenyl)phenyl]-methyl-amino]-1,3,5-triazin-2-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[4-azanyl-6-[[4-(3-fluorophenyl)phenyl]-methyl-amino]-1,3,5-triazin-2-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[4-amino-6-[4-(3-fluorophenyl)-N-methyl-anilino]-1,3,5-triazin-2-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[4-amino-6-[4-(3-fluorophenyl)-N-methylanilino]-1,3,5-triazin-2-yl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[4-amino-6-[4-(3-fluorophenyl)-N-methylanilino]-1,3,5-triazin-2-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[4-amino-6-[4-(3-fluorophenyl)-N-methyl-anilino]-s-triazin-2-yl]phenyl]propionic acid Formula: C25H23FN6O2 MolecularWeight: 458.487523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2=CC(=CC=C2)F)C3=NC(=NC(=N3)N)C4=CC=C(C=C4)CC(C(=O)O)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C2=CC(=CC=C2)F)C3=NC(=NC(=N3)N)C4=CC=C(C=C4)C[C@@H](C(=O)O)N

InChI

InChI=1S/C25H23FN6O2/c1-32(20-11-9-16(10-12-20)18-3-2-4-19(26)14-18)25-30-22(29-24(28)31-25)17-7-5-15(6-8-17)13-21(27)23(33)34/h2-12,14,21H,13,27H2,1H3,(H,33,34)(H2,28,29,30,31)/t21-/m0/s1