5-(6-aminopurin-9-yl)-3-[(2-azanyl-3-methoxy-3-phenyl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-3-methoxy-3-phenyl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-3-methoxy-3-phenyl-propanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-3-methoxy-1-oxo-3-phenylpropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-3-methoxy-3-phenylpropanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-amino-3-methoxy-3-phenyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H23N7O6 MolecularWeight: 457.43992

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

COC(C1=CC=CC=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C20H23N7O6/c1-32-14(9-5-3-2-4-6-9)10(21)18(29)26-11-13(28)19(33-15(11)20(30)31)27-8-25-12-16(22)23-7-24-17(12)27/h2-8,10-11,13-15,19,28H,21H2,1H3,(H,26,29)(H,30,31)(H2,22,23,24)