1-((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)-3-quinolin-4-ylmethyl-urea hydrochloride

HCID 66736668
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6ccnc7ccccc67)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKey
WAMBDZVJPMAWOA-CKJRUHKXSA-N
분자식
C42H46ClN13O3
평균 분자량
816.4 g/mol
단동위원소 질량
815.3535101

이름 및 식별자

우선 이름
1-((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)-3-quinolin-4-ylmethyl-urea hydrochloride
IUPAC
1-[(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]-3-(quinolin-4-ylmethyl)urea;hydrochloride

이름 및 동의어

SCHEMBL590628WAMBDZVJPMAWOA-CKJRUHKXSA-N1-((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)-3 quinolin-4-ylmethyl-urea hydrochloride1-((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)-3-quinolin-4-ylmethyl-urea hydrochloride

데이터베이스 식별자

PubChem CID
66736668

물성

구조 계산 물성

극성 표면적
197 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
12
회전 가능 결합 수
12
무거운 원자 수
59

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…