기본 정보
- CAS
147318-81-8- 표준 SMILES
CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C- InChIKey
NJBBLOIWMSYVCQ-VZTVMPNDSA-N- 분자식
- C33H41N5O6S2
- 평균 분자량
- 667.8 g/mol
- 단동위원소 질량
- 667.24982639
개요
Kynostatin 272 is a peptide.
이름 및 식별자
- 우선 이름
- Kynostatin 272
- IUPAC
- (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
- 현지명
- 키노스타틴272
- 영어명
- kynostatin 272
- 분자식
- C33H41N5O6S2
- 분자량
- 667.84
이름 및 동의어
Kynostatin 272kni-272147318-81-8MUL0OE3YBFKYNOSTATINKynostatin-272NSC651714NSC-6517144-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-, (4R-(3(2S*,3S*(R*)),4R*))-DTXSID90933095KNI 272RefChem:151606
이름 더 보기
키노스타틴272KNI272(R)-N-(tert-butyl)-3-((2S,3S)-2-hydroxy-3-((R)-2-(2-(isoquinolin-5-yloxy)acetamido)-3-(methylthio)propanamido)-4-phenylbutanoyl)thiazolidine-4-carboxamide4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[[(5-isoquinolinyloxy)acetyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-, (4R)-kynostatin-272|(R)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(5-isoquinolinyloxyacetyl)aMino-3-Methylthiopropionyl]aMino-2-hydroxy-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxaMide|KNI-272|(R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(R)-2-(5-isoquinolyl oxy-acetyl)aM
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 201 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 끓는 점
- 1045.3 · 1045.3±65.0 °C(Predicted)
- 밀도
- 1.1345 · 1.1345 (rough estimate)
- 굴절률
- 1.646 · 1.6460 (estimate)
- 산도 계수 (pKa)
- 12.44 · 12.44±0.46(Predicted)
- 수용성
- 4.2 mg/L · 4.2mg/L(25℃)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Inhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly.
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
공급사5 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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