5-(6-aminopurin-9-yl)-4-oxidanyl-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[2-(benzyloxycarbonylamino)propanoylamino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[2-(benzyloxycarbonylamino)propanoylamino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C21H23N7O7 MolecularWeight: 485.45002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23N7O7/c1-10(26-21(33)34-7-11-5-3-2-4-6-11)18(30)27-12-14(29)19(35-15(12)20(31)32)28-9-25-13-16(22)23-8-24-17(13)28/h2-6,8-10,12,14-15,19,29H,7H2,1H3,(H,26,33)(H,27,30)(H,31,32)(H2,22,23,24)