{(R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]pyrrolidin-3-yl}-carbamic acid tert-butyl ester

HCID 66735958
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기본 정보

표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](n5cc(CO)cn5)[C@@H](O)[C@H]4O)c3n2)C1
InChIKey
PHDLHFWXEWRIAG-DAMOSGKISA-N
분자식
C37H45N9O5
평균 분자량
695.8 g/mol
단동위원소 질량
695.35436557

이름 및 식별자

우선 이름
{(R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]pyrrolidin-3-yl}-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(3R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]carbamate

이름 및 동의어

SCHEMBL589429PHDLHFWXEWRIAG-DAMOSGKISA-N{(R)-1-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]-pyrrolidin-3-yl}-carbamic Acid Tert-Butyl Ester{(R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]pyrrolidin-3-yl}-carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
66735958

물성

구조 계산 물성

XLogP
3.1
극성 표면적
176 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
51

관련 반응

2건
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{(R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]pyrrolidin-3-yl}-carbamic acid tert-butyl ester (HCID 66735958)｜Huagongshe