기본 정보
- CAS
137863-89-9- 표준 SMILES
COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C- InChIKey
ZQHINOUCNQKQEV-IBGZPJMESA-N- 분자식
- C20H22N2O2
- 평균 분자량
- 322.4 g/mol
- 단동위원소 질량
- 322.16812794
이름 및 식별자
- 우선 이름
- N-((2'-Cyano(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester
- IUPAC
- methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate
- 현지명
- N-[(2'-시아노[1,1'-비페닐]-4-일)메틸]-L-발린메틸에스테르
- 영어명
- N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl ester
- 분자식
- C20H22N2O2
- 분자량
- 322.4
이름 및 동의어
137863-89-9UNII-13EG6HX8ND13EG6HX8NDValsartan impurity D [USP-MC]N-((2'-Cyano(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl esterDTXSID50587775N-[(2'-Cyano-(1,1'-biphenyl)-4-yl)methyl)]valine methyl esterL-Valine, N-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-, methyl esterN-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl esterValsartan impurity D (USP-MC)Methyl N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-L-valinateL-Valine, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester
이름 더 보기
N-[(2'-시아노[1,1'-비페닐]-4-일)메틸]-L-발린메틸에스테르Valsartan Impurity KValsartan Impurity 17 MonomerN-[[(2'-Cyano(1.1'-Biphenyl)-4Valsartan Impurity 9 (free base)Valsartan lmpurity 9 (free base)Valsartan Cyno Valine Methyl EsterValsartan Cyano Desvaleryl Methyl EsterN-[(2-Cyano-(1,1-biphenyl)-4-yl)Methyl)]valine MetN-[(2'-CYANOBIPHENYL-4-YL)METHYL]-L-VALINE METHYL ESTER
METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATEN-((2'-Cyano-(1,1'-biphenyl)-4-yl)methyl))valine methyl esterN-(2'-Cyano-(1'1'-biphenyl)-4-yl)-methyl)-L-valine methyl esterN-[2'-Cyano-[1'1'-biphenyl]-4-yl)-methyl]-L-valine methyl esterRefChem:201934DTXCID40538539604-048-9(S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate
데이터베이스 식별자
- CAS
137863-89-9- PubChem CID
- 16744794
- DTXSID
DTXSID50587775- UNII
- 13EG6HX8ND
- EC Number
- 604-048-9
- Nikkaji
- J2.513.903H
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 446
물리화학적 성질
- 끓는 점
- 477.9 · 477.9±45.0 °C(Predicted)
- 밀도
- 1.12 · 1.12
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 6.1 · 6.10±0.40(Predicted)
화학 및 산업
응용 분야
용도N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine Methyl Ester is an intermediate in the preparation of angiotensin II type 1 receptor antagonists.
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