(2S)-2-azanyl-4-[[4-[[4-azanyl-6-(5-chloranyl-2-methyl-phenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[[4-[[4-azanyl-6-(5-chloranyl-2-methyl-phenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-[[4-[[4-amino-6-(5-chloro-2-methyl-phenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-[[4-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-[[4-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-[4-[[4-amino-6-(5-chloro-2-methyl-phenyl)-s-triazin-2-yl]amino]benzyl]oxy-4-keto-butyric acid Formula: C21H21ClN6O4 MolecularWeight: 456.88224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)COC(=O)CC(C(=O)O)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)COC(=O)C[C@@H](C(=O)O)N)N

InChI

InChI=1S/C21H21ClN6O4/c1-11-2-5-13(22)8-15(11)18-26-20(24)28-21(27-18)25-14-6-3-12(4-7-14)10-32-17(29)9-16(23)19(30)31/h2-8,16H,9-10,23H2,1H3,(H,30,31)(H3,24,25,26,27,28)/t16-/m0/s1