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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(3-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(3-amino-3-phenyl-propanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(3-amino-1-oxo-3-phenylpropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(3-amino-3-phenylpropanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(3-amino-3-phenyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H21N7O5 MolecularWeight: 427.41394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O5/c20-10(9-4-2-1-3-5-9)6-11(27)25-12-14(28)18(31-15(12)19(29)30)26-8-24-13-16(21)22-7-23-17(13)26/h1-5,7-8,10,12,14-15,18,28H,6,20H2,(H,25,27)(H,29,30)(H2,21,22,23)