Basic information
- CAS
73689-10-8- Standard SMILES
CC(=O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](COC(=O)CN)[C@@H](O)[C@H]3O)ncnc21- InChIKey
GAVVRTCQVIUGPD-VYHVXXRISA-N- Molecular formula
- C28H37N11O10
- Average molar mass
- 687.7 g/mol
- Monoisotopic mass
- 687.27248642
Overview
inhibits ribosomal peptidyltransferase; structure in first source
Names & identifiers
- Preferred name
- 2'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)butane
- IUPAC
- [(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2-aminoacetate
Names & synonyms
Oaogdab73689-10-82'(3')-O-Acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)butaneGlycine, 2'(or 3')-ester with N-(4-((9-(2(or 3)-O-acetyl-beta-D-ribofuranosyl)-9H-purin-6-yl)amino)butyl)adenosineRefChem:79998[(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2-aminoacetate
Database identifiers
- CAS
73689-10-8- PubChem CID
- 192036
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 289 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 16
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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