기본 정보
- 표준 SMILES
CN(CCOP(=O)(OC(C)(C)C)OC(C)(C)C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC([C@@H](O)c4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F- InChIKey
KCWSTJRAIOSEBA-VJFYCQINSA-N- 분자식
- C53H65ClF3N4O10PS3
- 평균 분자량
- 1,137.7 g/mol
이름 및 식별자
- 우선 이름
- Di-tert-butyl 2-(((R)-3-(4-(N-(4-(4-((R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl)piperidin-1-yl)benzoyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)(methyl)amino)ethyl phosphate
- IUPAC
- ditert-butyl 2-[[(3R)-3-[4-[[4-[4-[(R)-[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]ethyl phosphate
이름 및 동의어
Di-tert-butyl 2-(((R)-3-(4-(N-(4-(4-((R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl)piperidin-1-yl)benzoyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)(methyl)amino)ethyl phosphateSCHEMBL554010di-tert-butyl 2-(((R)-3-(4-(N-(4-(4-((R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl)piperidin-1-yl)benzoyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenyl amino)-4-(phenylthio)butyl)(methyl)amino)ethyl phosphate
데이터베이스 식별자
- PubChem CID
- 87125252
물성
구조 계산 물성
- XLogP
- 11.2
- 극성 표면적
- 223 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,030
공급사
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관련 반응
4건
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