methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[[9-(4-methoxyphenyl)-6-purinyl]amino]-1-oxo-3-phenylpropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenylpropanoyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propionic acid methyl ester Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N6O4/c1-26(2,25(34)36-4)31-24(33)20(14-17-8-6-5-7-9-17)30-22-21-23(28-15-27-22)32(16-29-21)18-10-12-19(35-3)13-11-18/h5-13,15-16,20H,14H2,1-4H3,(H,31,33)(H,27,28,30)