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기본 정보
- CAS
162540-90-1- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCN2CCOC2=O)cc1)NC(=O)OC(C)(C)C- InChIKey
SGPZLDNIZDMEIK-VZNYXHRGSA-N- 분자식
- C35H52N4O9
- 평균 분자량
- 672.82 g/mol
- 단동위원소 질량
- 672.37342924
이름 및 식별자
- 우선 이름
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(2-(2-oxo-3-oxazolidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-Butyl [(2S,3R)-4-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-{4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
- 영어명
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-
- 분자식
- C35H52N4O9
- 분자량
- 672.81
이름 및 동의어
Aids033302Aids-03330212-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S,4R,8R,9S)- (9CI)12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
162540-90-1- PubChem CID
- 463287
- DTXSID
DTXSID20167402- ChEMBL
CHEMBL60782- Nikkaji
- J745.581J
물성
물리화학적 성질
- 끓는 점
- 862.951 · 862.951±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.199 · 1.199±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.902 · 11.902±0.46(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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