기본 정보
- CAS
660848-76-0- 표준 SMILES
C[C@H]1CN(CC(Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1- InChIKey
UPNUIXSCZBYVBB-COAOWADVSA-N- 분자식
- C25H32N2O4
- 평균 분자량
- 424.5 g/mol
이름 및 식별자
- 우선 이름
- 2-(2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid
- IUPAC
- 2-[[2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
- 영어명
- Alvimopan-d5 (Mixture of Diastereomers)
- 분자식
- C25H32N2O4
- 분자량
- 424.53
이름 및 동의어
342639-02-52-(2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acidCHEMBL3085012-[[2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acidGlycine, N-[2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-diMethyl-1-piperidinyl]Methyl]-1-oxo-3-phenylpropyl]-, rel- (9CI)SCHEMBL25348849CS-M2218BDBM50039180MFCD00914676AKOS037650345CS-14670AR-270/43507842
이름 더 보기
Alvimopan-d5 (Mixture of Diastereomers)Glycine, N-[2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]- (9CI)
({2-benzyl-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}amino)acetic acid{2-Benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionylamino}-acetic acid2-(2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)aceticacid2-[[2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoyl]amino]acetic acid
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 89.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 606
물리화학적 성질
- 끓는 점
- 684.1 · 684.1±55.0 °C(Predicted)
- 밀도
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.39 · 3.39±0.10(Predicted)
화학 및 산업
공급사4 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
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