4'-{2-Ethoxy-4-ethyl-5-[((S)-2-mercapto-4-methylpentanoylamino)methyl]imidazol-1-ylmethyl}-3'-fluorobiphenyl-2-carboxylic Acid
기본 정보
- 표준 SMILES
CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(-c2ccccc2C(=O)O)cc1F- InChIKey
BSJZYWSFNCKCDR-VWLOTQADSA-N- 분자식
- C28H34FN3O4S
- 평균 분자량
- 527.7 g/mol
이름 및 식별자
- 우선 이름
- 4'-{2-Ethoxy-4-ethyl-5-[((S)-2-mercapto-4-methylpentanoylamino)methyl]imidazol-1-ylmethyl}-3'-fluorobiphenyl-2-carboxylic Acid
- IUPAC
- 2-[4-[[2-ethoxy-4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]imidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid
이름 및 동의어
TD-02121073549-10-64'-{2-Ethoxy-4-ethyl-5-[((S)-2-mercapto-4-methylpentanoylamino)methyl]imidazol-1-ylmethyl}-3'-fluorobiphenyl-2-carboxylic AcidCHEMBL44358002-[4-[[2-ethoxy-4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]imidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid(S)-4'-((2-Ethoxy-4-ethyl-5-((2-mercapto-4-methylpentanamido)methyl)-1H-imidazol-1-yl)methyl)-3'-fluoro-[1,1'-biphenyl]-2-carboxylic acidorb1708383SCHEMBL1099060SCHEMBL29394306BSJZYWSFNCKCDR-VWLOTQADSA-NGLXC-20839BDBM50503875
이름 더 보기
AKOS040740201DA-58370HY-114412CS-0084984T13125
데이터베이스 식별자
- PubChem CID
- 45102601
- ChEMBL
CHEMBL4435800- Nikkaji
- J3.750.477G
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 744
관련 반응
8건
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