tert-Butyl(3S*,4S*)-4-{[(4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-5-{[2-(trimethylsilyl)ethoxy]methyl}-5H-pyrrolo[3,2-d]pyrimidin-7-yl)carbonyl]amino}-3-hydroxypiperidine-1-carboxylate
기본 정보
- 표준 SMILES
Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c2ncnc(-c3ccc(F)cc3OCC3CC3)c2n1COCC[Si](C)(C)C- InChIKey
IBMKTPRBJIVFLL-UIOOFZCWSA-N- 분자식
- C34H48FN5O6Si
- 평균 분자량
- 669.9 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl(3S*,4S*)-4-{[(4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-5-{[2-(trimethylsilyl)ethoxy]methyl}-5H-pyrrolo[3,2-d]pyrimidin-7-yl)carbonyl]amino}-3-hydroxypiperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,4S)-4-[[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-3-hydroxypiperidine-1-carboxylate
이름 및 동의어
SCHEMBL1439457IBMKTPRBJIVFLL-UIOOFZCWSA-Ntert-Butyl (3S*,4S*)-4-{[(4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-5-{[2-(trimethylsilyl)ethoxy]methyl}-5H-pyrrolo[3,2-d]pyrimidin-7-yl)carbonyl]amino}-3-hydroxypiperidine-1-carboxylatetert-Butyl(3S*,4S*)-4-{[(4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-5-{[2-(trimethylsilyl)ethoxy]methyl}-5H-pyrrolo[3,2-d]pyrimidin-7-yl)carbonyl]amino}-3-hydroxypiperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 67033425
물성
구조 계산 물성
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
2건
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