[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=NC(=NC(=N2)N)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC2=NC(=NC(=N2)N)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N6O3/c21-19-24-16(25-20(22)26-19)12-29-17(27)11-15(13-7-3-1-4-8-13)23-18(28)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,23,28)(H4,21,22,24,25,26)/t15-/m0/s1