(1S,2S,3R,4R)-Methyl 3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate
기본 정보
- CAS
229614-51-1- 표준 SMILES
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=N)N- InChIKey
UCEWLPUPWASTTL-MQLXINIDSA-N- 분자식
- C16H30N4O4
- 평균 분자량
- 342.43 g/mol
- 단동위원소 질량
- 342.22670545
이름 및 식별자
- 우선 이름
- (1S,2S,3R,4R)-Methyl 3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate
- IUPAC
- methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate
- 영어명
- (1S,2S,3R,4R)-Methyl 3-((R)-1-acetaMido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate
- 분자식
- C16H30N4O4
- 분자량
- 342.43
이름 및 동의어
(1S,2S,3R,4R)-Methyl 3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylatePeramivir Impurity 15SCHEMBL17659958Cyclopentanecarboxylic acid, 3-[(1R)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, methyl ester, (1R,2R,3S,4S)-rel?methyl (1S,2S,3R,4R)-3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentane-1-carboxylateParamivir impurity 11Peramivir Impurity 101Peramivir Impurity 52 HClPeramivir Impurity 23 HCl(1S,2S,3R,4R)-Methyl 3-((R)-1-acetaMido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylateCyclopentanecarboxylic acid, 3-[(1R)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, methyl ester, (1R,2R,3S,4S)-rel-
데이터베이스 식별자
- CAS
229614-51-1- PubChem CID
- 95730876
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 475
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.37 · 14.37±0.70(Predicted)
관련 반응
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