[(2R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl] N-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]sulfamate

Systemtic Name: [(2R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl] N-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]sulfamate Openeye Name: [(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl] N-[(2S)-2-amino-4-methylsulfanyl-butanoyl]sulfamate CAS Name: N-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]sulfamic acid [(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl] ester IUPAC Name: [(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl] N-[(2S)-2-amino-4-methylsulfanylbutanoyl]sulfamate Traditional Name: N-[(2S)-2-amino-4-(methylthio)butanoyl]sulfamic acid [(2R,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl] ester Formula: C14H21N7O6S2 MolecularWeight: 447.48984

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NS(=O)(=O)OC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)NS(=O)(=O)O[C@@H]1C(C[C@@H](O1)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C14H21N7O6S2/c1-28-3-2-7(15)13(23)20-29(24,25)27-14-8(22)4-9(26-14)21-6-19-10-11(16)17-5-18-12(10)21/h5-9,14,22H,2-4,15H2,1H3,(H,20,23)(H2,16,17,18)/t7-,8?,9+,14+/m0/s1