N-{(R)-1-[6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-9H-purin-2-yl]-pyrrolidin-3-yl}-6-morpholin-4-yl-nicotinamide hydrochloride

HCID 66630618
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Basic information

Standard SMILES
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccc(O)cc4)c4ccc(O)cc4)nc(N4CC[C@@H](NC(=O)c5ccc(N6CCOCC6)nc5)C4)nc32)[C@H](O)[C@@H]1O.Cl
InChIKey
VGSVODBGUQJXRJ-MFJJAXBFSA-N
Molecular formula
C41H49ClN10O7
Average molar mass
829.3 g/mol
Monoisotopic mass
828.3474216

Names & identifiers

Preferred name
N-{(R)-1-[6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-9H-purin-2-yl]-pyrrolidin-3-yl}-6-morpholin-4-yl-nicotinamide hydrochloride
IUPAC
N-[(3R)-1-[6-[2,2-bis(4-hydroxyphenyl)ethylamino]-9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]purin-2-yl]pyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide;hydrochloride

Names & synonyms

SCHEMBL241923VGSVODBGUQJXRJ-MFJJAXBFSA-NN-{(R)-1-[6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-9H-purin-2-yl]-pyrrolidin-3-yl}-6-morpholin-4-yl-nicotinamide hydrochloride

Database identifiers

PubChem CID
66630618

Properties

Computed structural properties

Topological polar surface area
223 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
14
Rotatable bonds
12
Heavy atoms
59

Related reactions

2 records
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Compound notes

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