(3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylic acid

Systemtic Name: (3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylic acid Openeye Name: (3S,5R)-5-(6-aminopurin-9-yl)-2-benzyl-isoxazolidine-3-carboxylic acid CAS Name: (3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-3-isoxazolidinecarboxylic acid IUPAC Name: (3S,5R)-5-(6-aminopurin-9-yl)-2-benzyl-1,2-oxazolidine-3-carboxylic acid Traditional Name: (3S,5R)-5-adenin-9-yl-2-benzyl-isoxazolidine-3-carboxylic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(OC1N2C=NC3=C2N=CN=C3N)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@H](N(O[C@H]1N2C=NC3=C2N=CN=C3N)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C16H16N6O3/c17-14-13-15(19-8-18-14)21(9-20-13)12-6-11(16(23)24)22(25-12)7-10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H,23,24)(H2,17,18,19)/t11-,12+/m0/s1