tert-butyl (R)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
기본 정보
- CAS
2229725-86-2- 표준 SMILES
CC(C)(C)OC(=O)CC[C@H](C(N)=O)N1Cc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C1=O- InChIKey
PNBFSDKDKJMONJ-HXUWFJFHSA-N- 분자식
- C26H38N4O6
- 평균 분자량
- 502.6 g/mol
- 단동위원소 질량
- 502.27913494
이름 및 식별자
- 우선 이름
- tert-butyl (R)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-[(2R)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
- 영어명
- (R)-tert-butyl 4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
- 분자식
- C26H38N4O6
- 분자량
- 502.61
이름 및 동의어
2229725-86-2tert-butyl (R)-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine-1-carboxylateBZR5Q5N2E4SCHEMBL20231940SCHEMBL30612712MFCD34679774(R)-1-Boc-4-(2-(1-amino-5-(tert-butoxy)-1,5-dioxopentan-2-yl)-1-oxoisoindolin-5-yl)piperazine(R)-5-(tert-Butoxy)-2-(5-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-oxoisoindolin-2-yl)-5-oxopentanimidic acid1,1-Dimethylethyl (gammaR)-gamma-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-2H-isoindole-2-butanoate2H-Isoindole-2-butanoic acid, gamma-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester, (gammaR)-2H-Isoindole-2-butanoic acid, γ-(aminocarbonyl)-5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester, (γR)-
데이터베이스 식별자
- CAS
2229725-86-2- PubChem CID
- 134580195
- UNII
- BZR5Q5N2E4
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 끓는 점
- 703.6 · 703.6±60.0 °C(Predicted)
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.51 · 15.51±0.50(Predicted)
관련 반응
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