기본 정보
- CAS
479203-71-9- 표준 SMILES
Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c3ccccc3)C(=O)C2(C)C)cc1- InChIKey
OPZVCXYTOHAOHN-VMPREFPWSA-N- 분자식
- C35H41N5O6
- 평균 분자량
- 627.7 g/mol
- 단동위원소 질량
- 627.30568404
이름 및 식별자
- 우선 이름
- Hmr-1031
- IUPAC
- (3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
- 영어명
- (S)-3-((S)-2-(4,4-Dimethyl-2,5-dioxo-3-(4-(3-o-tolylureido)benzyl)imidazolidin-1-yl)-4-methylpentanamido)-3-phenylpropanoic acid
- 분자식
- C35H41N5O6
- 분자량
- 627.73
이름 및 동의어
479203-71-9HMR 1031HMR1031RNM7WQO98YHMR-1031MDL-819767MDL 819,767DTXSID0043925(betaS)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acidBenzenepropanoic acid, beta-(((2S)-2-(4,4-dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)-, (betaS)-RefChem:923011DTXCID8023925
이름 더 보기
Benzenepropanoic acid, β-[[(2S)-2-[4,4-dimethyl-3-[[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]methyl]-2,5-dioxo-1-imidazolidinyl]-4-methyl-1-oxopentyl]amino]-, (βS)-
(3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acidUNII-RNM7WQO98Y(S)-3-((S)-2-(4,4-dimethyl-2,5-dioxo-3-(4-(3-o-tolylureido)benzyl)imidazolidin-1-yl)-4-methylpentanamido)-3-phenylpropanoic acid(S)-3-((S)-2-(4,4-Dimethyl-2,5-dioxo-3-(4-(3-(o-tolyl)ureido)benzyl)imidazolidin-1-yl)-4-methylpentanamido)-3-phenylpropanoic acidorb1740277SCHEMBL1222529GLXC-15816NCGC00386592-01
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- 밀도
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.17 · 4.17±0.10(Predicted)
화학 및 산업
공급사4 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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