(2S)-2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)ammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)ammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(4,6-diphenoxy-s-triazin-2-yl)ammonio]-4-methyl-valerate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14(2)13-17(18(26)27)22-19-23-20(28-15-9-5-3-6-10-15)25-21(24-19)29-16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,26,27)(H,22,23,24,25)/t17-/m0/s1