propan-2-yl (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-(2-methoxyethanoylamino)butanoate

Systemtic Name: propan-2-yl (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-(2-methoxyethanoylamino)butanoate Openeye Name: isopropyl (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-2-[(2-methoxyacetyl)amino]butanoate CAS Name: (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylthio]-2-[(2-methoxy-1-oxoethyl)amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-2-[(2-methoxyacetyl)amino]butanoate Traditional Name: (2S)-4-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]-2-[(2-methoxyacetyl)amino]butyric acid isopropyl ester Formula: C20H30N6O7S MolecularWeight: 498.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)NC(=O)COC

Isomeric SMILES

CC(C)OC(=O)[C@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)NC(=O)COC

InChI

InChI=1S/C20H30N6O7S/c1-10(2)32-20(30)11(25-13(27)6-31-3)4-5-34-7-12-15(28)16(29)19(33-12)26-9-24-14-17(21)22-8-23-18(14)26/h8-12,15-16,19,28-29H,4-7H2,1-3H3,(H,25,27)(H2,21,22,23)/t11-,12+,15+,16+,19+/m0/s1