1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride (HCID 66737239)

기본 정보

표준 SMILES: CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6cn(C)cn6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKey: ZGQHDSCHJQSFKM-GOKCBQHJSA-N
분자식: C38H46ClN13O3
평균 분자량: 768.3 g/mol

이름 및 식별자

우선 이름: 1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride
IUPAC: 1-[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-[(1-methylimidazol-4-yl)methyl]urea;hydrochloride

이름 및 동의어

SCHEMBL591597ZGQHDSCHJQSFKM-GOKCBQHJSA-N1-((r)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1r,2s,3r,4s)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9h purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1h-imidazol-4-ylmethyl)-urea hydrochloride1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride

데이터베이스 식별자

PubChem CID: 66737239

물성

구조 계산 물성

극성 표면적: 189 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 11
회전 가능 결합 수: 12
무거운 원자 수: 55
형식 전하: 0
복잡도: 1,190

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