4-[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)-ureidomethyl]-benzamidine hydrochloride

HCID 66737425
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기본 정보

표준 SMILES
CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6ccc(C(=N)N)cc6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKey
MUFQODKPPVLMEG-FRLNIKELSA-N
분자식
C40H47ClN14O3
평균 분자량
807.3 g/mol

이름 및 식별자

우선 이름
4-[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)-ureidomethyl]-benzamidine hydrochloride
IUPAC
1-[(4-carbamimidoylphenyl)methyl]-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

이름 및 동의어

SCHEMBL591908MUFQODKPPVLMEG-FRLNIKELSA-N4-[3-((R)-1-{6-(2,2-Dipheny-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H purin-2-yl}-pyrrolidin-3-yl)-ureidomethyl]-benzamidine hydrochloride4-[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)-ureidomethyl]-benzamidine hydrochloride

데이터베이스 식별자

PubChem CID
66737425

물성

구조 계산 물성

극성 표면적
234 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
12
회전 가능 결합 수
13
무거운 원자 수
58

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