기본 정보
- CAS
87270-38-0- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)N[C@@H](CSC)C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
XWAHPUCZLAPTPG-IBGZPJMESA-N- 분자식
- C23H23ClN2O5S
- 평균 분자량
- 475 g/mol
- 단동위원소 질량
- 474.10162052
이름 및 식별자
- 우선 이름
- Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-
- IUPAC
- (2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-methylsulfanylpropanoic acid
- 영어명
- (2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]a mino]-3-methylsulfanyl-propanoic acid
- 분자식
- C23H23ClN2O5S
- 분자량
- 0
이름 및 동의어
N-Indomethacyl-S-methylcysteine87270-38-0Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-L-Cysteine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-S-methyl-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)alanineDTXSID40236245RefChem:317983DTXCID40158736(R)-2-(2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-3-(methylthio)propanoic acidN-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-S-methyl-L-cysteine(2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]a mino]-3-methylsulfanyl-propanoic acid
데이터베이스 식별자
- CAS
87270-38-0- PubChem CID
- 3071101
- DTXSID
DTXSID40236245
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 687
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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