methyl 3-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-benzamidopurin-9-yl)-4-oxidanyl-oxolane-2-carboxylate

Systemtic Name: methyl 3-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-benzamidopurin-9-yl)-4-oxidanyl-oxolane-2-carboxylate Openeye Name: methyl 3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylate CAS Name: 3-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-5-(6-benzamido-9-purinyl)-4-hydroxy-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-benzamidopurin-9-yl)-4-hydroxyoxolane-2-carboxylate Traditional Name: 3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C28H29N7O7 MolecularWeight: 575.57256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)NC2C(C(OC2C(=O)OC)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)NC2C(C(OC2C(=O)OC)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)N

InChI

InChI=1S/C28H29N7O7/c1-40-17-10-8-15(9-11-17)12-18(29)26(38)33-19-21(36)27(42-22(19)28(39)41-2)35-14-32-20-23(30-13-31-24(20)35)34-25(37)16-6-4-3-5-7-16/h3-11,13-14,18-19,21-22,27,36H,12,29H2,1-2H3,(H,33,38)(H,30,31,34,37)