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기본 정보
- CAS
159878-26-9- 표준 SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O- InChIKey
SLKMGYJMZOWGPU-NUHKNMDZSA-N- 분자식
- C34H49FN4O5S2
- 평균 분자량
- 676.921 g/mol
- 단동위원소 질량
- 676.31284089
이름 및 식별자
- 우선 이름
- 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-2-(3-((3-((4-fluorophenyl)thio)-2-((methylsulfonyl)amino)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-
- IUPAC
- (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3S)-3-{[S-(4-fluorophenyl)-N-(methanesulfonyl)-D-cysteinyl]amino}-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxamide
- 영어명
- (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
- 분자식
- C34H49FN4O5S2
- 분자량
- 676.91
이름 및 동의어
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-2-[3-[[3-[(4-fluorophenyl)thio]-2-[(methylsulfonyl)amino]-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]decahydro-, [3S-[2[2S*,3R*(R*)],3α,4aβ,8aβ]]- (9CI)
데이터베이스 식별자
- CAS
159878-26-9- PubChem CID
- 461211
- DTXSID
DTXSID50166761- ChEMBL
CHEMBL99774
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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