1-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-urea hydrochloride

HCID 66735985
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Basic information

Standard SMILES
CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCCc6nc7ccccc7[nH]6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKey
JCZNAHGSGDIERK-IEFMOPQLSA-N
Molecular formula
C41H47ClN14O3
Average molar mass
819.4 g/mol
Monoisotopic mass
818.3644091

Names & identifiers

Preferred name
1-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-urea hydrochloride
IUPAC
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]urea;hydrochloride

Names & synonyms

SCHEMBL589468JCZNAHGSGDIERK-IEFMOPQLSA-N1-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-urea hydrochloride

Database identifiers

PubChem CID
66735985

Properties

Computed structural properties

Topological polar surface area
213 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
12
Rotatable bonds
13
Heavy atoms
59

Related reactions

1 records
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Linked notes

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