1,3-Thiazol-5-ylmethyl N-((1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl)carbamate

HCID 11101978

기본 정보

CAS
144164-11-4
표준 SMILES
N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1
InChIKey
HBPTXDXGWDVDON-BVSLBCMMSA-N
분자식
C23H27N3O3S
평균 분자량
425.5 g/mol
단동위원소 질량
425.17731272

이름 및 식별자

우선 이름
1,3-Thiazol-5-ylmethyl N-((1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl)carbamate
IUPAC
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
영어명
(2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
분자식
C23H27N3O3S
분자량
425.54

이름 및 동의어

144164-11-41,3-Thiazol-5-ylmethyl N-[(1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate1,3-Thiazol-5-ylmethyl N-((1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl)carbamateRefChem:219767Thiazol-5-ylmethyl ((2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate(2S,3S,5S)-5-AMINO-2-(N-((5-THIAZOLYL)-METHOXYCARBONYL)AMINO)-1,6-DIPHENYL-3-HYDROXYHEXANE2S,3S,5S-5-Amino-2-[N-[[(5-thiozolyl)methoxy]carbonyl]amino]-1,6-diphenyl-3-hydroxyhexaneMFCD07367634C23H27N3O3SCarbamic acid, N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester(2S,3S,5S)-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane1,3-THIAZOL-5-YLMETHYL N-[(2S,3S,5S)-5-AMINO-3-HYDROXY-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE
이름 더 보기
RIT-XRT-10RitovirImpurity20Ritonavir Impurity 1Ritonavir Impurity 26Ritonavir Intermediate 2Falecalcitriol Impurity 28amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate(5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamic acid
Thiazol-5-ylmethyl [(1S,2S,4S)-4-Amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamateHBPTXDXGWDVDON-BVSLBCMMSA-NRitonavir Impurity 30Ritonavir Impurity 56SCHEMBL893198DTXSID10455244AKOS015896455AC-8900

데이터베이스 식별자

CAS
144164-11-4
PubChem CID
11101978
DTXSID
DTXSID10455244
Nikkaji
J1.080.353E

물성

구조 계산 물성

XLogP
3.3
극성 표면적
126 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
30

물리화학적 성질

끓는 점
656.1 · 656.1±55.0 °C(Predicted)
밀도
1.251 · 1.251±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
11.48 · 11.48±0.46(Predicted)
물리적 상태
고체

화학적 성질

Light Yellow Oil

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도An intermediate in the synthesis of Ritonavir.

공급사81 곳

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

관련 반응

99건

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