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기본 정보
- CAS
159565-69-2- 표준 SMILES
CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O- InChIKey
DMISINIQIKNYRB-OXMBMXHISA-N- 분자식
- C34H50N4O7S
- 평균 분자량
- 658.862 g/mol
- 단동위원소 질량
- 658.34002094
이름 및 식별자
- 우선 이름
- Carbamic acid, (3-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-((3-hydroxyphenyl)methyl)-1-piperazinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, (2R-(2alpha,3alpha(1S*,2R*,3(S*))))-
- IUPAC
- (2R,3R)-1,1-Dioxo-2-(propan-2-yl)-1lambda~6~-thiolan-3-yl [(2S,3R)-4-{(2S)-2-(tert-butylcarbamoyl)-4-[(3-hydroxyphenyl)methyl]piperazin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]carbamate
- 영어명
- [(2R,3R)-1,1-dioxo-2-propan-2-yl-thiolan-3-yl] N-[(2S,3R)-3-hydroxy-4- [(2S)-4-[(3-hydroxyphenyl)methyl]-2-(tert-butylcarbamoyl)piperazin-1-y l]-1-phenyl-butan-2-yl]carbamate
- 분자식
- C34H50N4O7S
- 분자량
- 658.85
이름 및 동의어
[(2R,3R)-1,1-dioxo-2-propan-2-yl-thiolan-3-yl] N-[(2S,3R)-3-hydroxy-4- [(2S)-4-[(3-hydroxyphenyl)methyl]-2-(tert-butylcarbamoyl)piperazin-1-y l]-1-phenyl-butan-2-yl]carbamateCarbamic acid, [3-[2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3-hydroxyphenyl)methyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, [2R-[2α,3α[1S*,2R*,3(S*)]]]- (9CI)
데이터베이스 식별자
- CAS
159565-69-2- PubChem CID
- 462730
- DTXSID
DTXSID90166684- ChEMBL
CHEMBL309582
물성
물리화학적 성질
- 끓는 점
- 880.9 · 880.9±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.95 · 9.95±0.10(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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