(1-(6-[5-(4-{6-[2-(4-Cyano-pyrrolidin-2-yl)-3H-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochloride
기본 정보
- 표준 SMILES
COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CC(C#N)CN6)[nH]5)ccc4c3)cc2)[nH]1)C(C)C.Cl.Cl.Cl- InChIKey
JFHWWZUOWYPWSQ-UHFFFAOYSA-N- 분자식
- C40H45Cl3N8O3
- 평균 분자량
- 792.2 g/mol
이름 및 식별자
- 우선 이름
- (1-(6-[5-(4-{6-[2-(4-Cyano-pyrrolidin-2-yl)-3H-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochloride
- IUPAC
- methyl N-[1-[6-[5-[4-[6-[2-(4-cyanopyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;trihydrochloride
이름 및 동의어
(1-(6-[5-(4-{6-[2-(4-Cyano-pyrrolidin-2-yl)-3H-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochloride(1-{6-[5-(4-{6-[2-(4-Cyano-pyrrolidin-2-yl)-3H-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl]-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochloride(1-{6-[5-(4-{6-[2-(4-cyano-pyrrolidin-2-yl)-3h-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1h-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochlorideSCHEMBL204464JFHWWZUOWYPWSQ-UHFFFAOYSA-N
데이터베이스 식별자
- PubChem CID
- 66620626
물성
구조 계산 물성
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,310
관련 반응
20건
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