기본 정보
- CAS
1988779-15-2- 표준 SMILES
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C- InChIKey
YMZFCNQNTWLIEW-MZBWOGCUSA-N- 분자식
- C20H36N2O6
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.25733687
이름 및 식별자
- 우선 이름
- (1s,2s,3r,4r)-Methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-(tert-butoxycarbonylamino)-2-hydroxycyclopentanecarboxylate
- IUPAC
- methyl (1S,2S,3R,4R)-3-[(1R)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
- 영어명
- Cyclopentanecarboxylic acid, 3-[(1R)-1-(acetylamino)-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester, (1S,2S,3R,4R)-
- 분자식
- C20H36N2O6
- 분자량
- 400.51
이름 및 동의어
229614-05-5(1s,2s,3r,4r)-methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-(tert-butoxycarbonylamino)-2-hydroxycyclopentanecarboxylate1988779-15-2Methyl (1S,2S,3R,4R)-3-((R)-1-acetamido-2-ethylbutyl)-4-((tert-butoxycarbonyl)amino)-2-hydroxycyclopentane-1-carboxylatemethyl (1S,2S,3R,4R)-3-[(1R)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylatePeramivir Impurity 50(1S,2S,3R,4R)-Methyl 3-((R)-1-acetamido-2-ethylbutyl)-4-((tert-butoxycarbonyl)amino)-2-hydroxycyclopentanecarboxylateSCHEMBL29871620(1S,2S,3R,4R)-methyl 3-((S)-1-acetamido-2-ethylbutyl)-4-((tert-butoxycarbonyl)amino)-2-hydroxycyclopentanecarboxylateMFCD31807387AKOS016028424SY270202
이름 더 보기
Cyclopentanecarboxylic acid, 3-[(1R)-1-(acetylamino)-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester, (1S,2S,3R,4R)-
DB-361867CS-0197679F633957Methyl (1S,2S,3R,4R)-3-[(S)-1-Acetamido-2-ethylbutyl]-4-(Boc-amino)-2-hydroxycyclopentanecarboxylate
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 555
물리화학적 성질
- 끓는 점
- 562.6 · 562.6±50.0 °C(Predicted)
- 밀도
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.56 · 11.56±0.70(Predicted)
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