기본 정보
- CAS
875272-89-2- 표준 SMILES
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)O- InChIKey
WPRRUCZQBUTYOE-ROUUACIJSA-N- 분자식
- C21H23F4NO4S
- 평균 분자량
- 461.5 g/mol
- 단동위원소 질량
- 461.12839204
이름 및 식별자
- 우선 이름
- (S)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanoic acid
- IUPAC
- (2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoic acid
- 영어명
- (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid
- 분자식
- C21H23F4NO4S
- 분자량
- 461.47
이름 및 동의어
875272-89-2(S)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanoic acid(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoic acid(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoic acid(S)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanoic acidC21H23F4NO4SSCHEMBL2848882CS-M1417MFCD22124919AKOS037649928CS-13902DB-224810
이름 더 보기
L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4-(methylsulfonyl)-[1,1-biphenyl]-4-yl)ethyl)amino)pentanoic acid
(2S)-2-[((1S)-2,2,2-trifluoro-1-{4-[4-(methylsulfonyl)phenyl]phenyl}ethyl)amino]-4-fluoro-4-methylpentanoic acid(S)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanoicacid
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 704
물리화학적 성질
- 녹는점
- 115 · 115-117 °C
- 끓는 점
- 568 · 568.0±50.0 °C(Predicted)
- 밀도
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.65 · 3.65±0.19(Predicted)
화학 및 산업
공급사5 곳
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
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