methyl (2S)-3-phenyl-2-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[6-[(phenylmethyl)amino]-9-purinyl]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C24H24N6O3/c1-33-24(32)19(12-17-8-4-2-5-9-17)29-20(31)14-30-16-28-21-22(26-15-27-23(21)30)25-13-18-10-6-3-7-11-18/h2-11,15-16,19H,12-14H2,1H3,(H,29,31)(H,25,26,27)/t19-/m0/s1