기본 정보
- CAS
2409132-60-9- 표준 SMILES
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](c3ccccc3)N(CCCC(=O)O)CCCC(=O)O)c2=O)c1F- InChIKey
HWYCCACGKNRWJX-NDEPHWFRSA-N- 분자식
- C36H36F5N3O7
- 평균 분자량
- 717.7 g/mol
- 단동위원소 질량
- 717.24734131
이름 및 식별자
- 우선 이름
- (R)-4,4'-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)azanediyl)dibutyric acid
- IUPAC
- 4-[3-carboxypropyl-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
- 영어명
- Butanoic acid, 4,4'-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]imino]bis-
- 분자식
- C36H36F5N3O7
- 분자량
- 717.68
이름 및 동의어
2409132-60-9LP8M953L39(R)-4,4'-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)azanediyl)dibutyric acid4,4'-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)azanediyl)dibutyric acid, (R)-Butanoic acid, 4,4'-(((1R)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)-1-phenylethyl)imino)bis-Butanoic acid, 4,4'-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]imino]bis-UNII-LP8M953L39SCHEMBL21693827SCHEMBL30020891HWYCCACGKNRWJX-NDEPHWFRSA-N(R)-4,4'-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)azanediyl)dibutanoic acid
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,240
물리화학적 성질
- 끓는 점
- 806.7 · 806.7±75.0 °C(Predicted)
- 밀도
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.09 · 4.09±0.10(Predicted)
화학 및 산업
공급사14 곳
广州九植医药科技有限公司020-89854820 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
重庆美兴医药科技有限公司15023715366 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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