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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O7/c22-17-14-18(25-9-24-17)28(10-26-14)19-15(30)13(16(35-19)20(31)32)27-12(29)6-7-23-21(33)34-8-11-4-2-1-3-5-11/h1-5,9-10,13,15-16,19,30H,6-8H2,(H,23,33)(H,27,29)(H,31,32)(H2,22,24,25)