기본 정보
- 표준 SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNc1c(Nc2ccc(C#CCCCN(C[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c4[nH]c(=O)ccc34)C(=O)OC(C)(C)C)cc2)c(=O)c1=O- InChIKey
BYPDPWUDBVAULA-WBCKFURZSA-N- 분자식
- C53H68N8O8Si
- 평균 분자량
- 973.2 g/mol
이름 및 식별자
- 우선 이름
- (R)-tert-butyl 2-(tert-butyldimethylsilyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl(5-(4-(2-((1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methylamino)-3,4-dioxocyclobut-1-enylamino)phenyl)pent-4-ynyl)carbamate
- IUPAC
- tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]-N-[5-[4-[[2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylamino]-3,4-dioxocyclobuten-1-yl]amino]phenyl]pent-4-ynyl]carbamate
이름 및 동의어
SCHEMBL1313442BYPDPWUDBVAULA-WBCKFURZSA-N(R)-tert-butyl 2-(tert-butyldimethylsilyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl(5-(4-(2-((1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methylamino)-3,4-dioxocyclobut-1-enylamino)phenyl)pent-4-ynyl)carbamate
데이터베이스 식별자
- PubChem CID
- 86659068
물성
구조 계산 물성
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,990
관련 반응
1건
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