[(2R,3S,4S,5R)-5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S,3S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [(2R,3S,4S,5R)-5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S,3S)-2-azanyl-3-methyl-pentanoate Openeye Name: [(2R,3S,4S,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S,3S)-2-amino-3-methyl-pentanoate CAS Name: (2S,3S)-2-amino-3-methylpentanoic acid [(2R,3S,4S,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate Traditional Name: (2S,3S)-2-amino-3-methyl-valeric acid [(2R,3S,4S,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H25N6O5+ MolecularWeight: 381.4069

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1C(C(C(O1)[N+]2=CNC3=C2N=CN=C3N)O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)[N+]2=CNC3=C2N=CN=C3N)O)O)N

InChI

InChI=1S/C16H24N6O5/c1-3-7(2)9(17)16(25)26-4-8-11(23)12(24)15(27-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H2,18,19,20)/p+1/t7-,8+,9-,11+,12-,15+/m0/s1