기본 정보
- CAS
205521-07-9- 표준 SMILES
CC(=O)SC[C@@H](C)C(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
WVMLNLMJPJCSEK-FOGDFJRCSA-N- 분자식
- C15H23NO5S2
- 평균 분자량
- 361.5 g/mol
- 단동위원소 질량
- 361.10176518
이름 및 식별자
- 우선 이름
- (2S)-1-((2S)-3-(((2R)-3-(Acetylsulfanyl)-2-methylpropanoyl)sulfanyl)-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-[(2S)-3-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
- 영어명
- Captopril IMpurity H
- 분자식
- C15H23NO5S2
- 분자량
- 361.48
이름 및 동의어
205521-07-9(2S)-1-((2S)-3-(((2R)-3-(Acetylsulfanyl)-2-methylpropanoyl)sulfanyl)-2-methylpropanoyl)pyrrolidine-2-carboxylic acidUNII-36ZH12216136ZH122161DTXSID80174556L-Proline, 1-((2S)-3-(((2R)-3-(acetylthio)-2-methyl-1-oxopropyl)thio)-2-methyl-1-oxopropyl)-CAPTOPRIL IMPURITY H [EP IMPURITY]CAPTOPRIL IMPURITY H (EP IMPURITY)RefChem:68912DTXCID4097047Captopril EP Impurity H((S)-3-(((R)-3-(Acetylthio)-2-methylpropanoyl)thio)-2-methylpropanoyl)-L-proline
이름 더 보기
Captopril IMpurity HCaptopril Impurity H(EP)Captopril?-?Impurity?H?(EP/BP)(S)-1-((S)-3-(((R)-3-(acetylthio)L-Proline, 1-[(2S)-3-[[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-(S)-1-((S)-3-(((R)-3-(acetylthio)-2-methylpropanoyl)thio)-2-methylpropanoyl)pyrrolidine-2-carboxylic acid? (Captopril Impurity）
(2S)-1-[(2S)-3-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid(S)-1-((S)-3-(((R)-3-(acetylthio)-2-methylpropanoyl)thio)-2-methylpropanoyl)pyrrolidine-2-carboxylic acidIC182780CS-0166039Q27256600(S)-1-((S)-3-(((R)-3-(acetylthio)-2-methylpropanoyl)thio)-2-methylpropanoyl)pyrrolidine-2-carboxylic acid? (Captopril Impurity pound(c)1-[(2S)-3-[[(2R)-3-(Acetylthio)-2-methyl-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-L-proline1-[(2S)-3-{[(2R)-3-(Acetylsulfanyl)-2-methylpropanoyl]sulfanyl}-2-methylpropanoyl]-L-proline
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 482
물리화학적 성질
- 끓는 점
- 556.6 · 556.6±50.0 °C(Predicted)
- 밀도
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.55 · 3.55±0.20(Predicted)
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