Chemical Component Summary | |
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Name | 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine |
Identifiers | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]-2-azanyl-butanoic acid |
Formula | C17 H28 N8 O5 |
Molecular Weight | 424.455 |
Type | NON-POLYMER |
Isomeric SMILES | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N |
InChI | InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1 |
InChIKey | NHAKJKNYYCYZBR-UOYPZJKHSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 58 |
Chiral Atom Count | 5 |
Bond Count | 60 |
Aromatic Bond Count | 10 |
Related Resource References
Resource Name | Reference |
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PubChem | 56589655 |
ChEMBL | CHEMBL3414628 |