(2S)-7-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2,5-bis(azanyl)heptanoic acid

Systemtic Name: (2S)-7-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2,5-bis(azanyl)heptanoic acid Openeye Name: (2S)-2,5-diamino-7-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]heptanoic acid CAS Name: (2S)-2,5-diamino-7-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]heptanoic acid IUPAC Name: (2S)-2,5-diamino-7-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]heptanoic acid Traditional Name: (2S)-7-[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,5-diamino-enanthic acid Formula: C16H25N7O5 MolecularWeight: 395.4136

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CCC(CCC(C(=O)O)N)N)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CCC(CC[C@@H](C(=O)O)N)N)O)O

InChI

InChI=1S/C16H25N7O5/c17-7(1-3-8(18)16(26)27)2-4-9-11(24)12(25)15(28-9)23-6-22-10-13(19)20-5-21-14(10)23/h5-9,11-12,15,24-25H,1-4,17-18H2,(H,26,27)(H2,19,20,21)/t7?,8-,9+,11+,12+,15+/m0/s1