(R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo-[1,2-a]imidazole-3-carboxylic acid [1-(1-hydrazinocarbonyl-cyclopropylcarbamoyl)-cyclopropyl]-amide hydrochloride
기본 정보
- 표준 SMILES
C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(C(=O)NN)CC4)CC3)n21.Cl- InChIKey
AYEIQWZCHXLLHU-HZPIKELBSA-N- 분자식
- C29H27Cl3N8O4
- 평균 분자량
- 657.9 g/mol
- 단동위원소 질량
- 656.122084
이름 및 식별자
- 우선 이름
- (R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo-[1,2-a]imidazole-3-carboxylic acid [1-(1-hydrazinocarbonyl-cyclopropylcarbamoyl)-cyclopropyl]-amide hydrochloride
- IUPAC
- (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(hydrazinecarbonyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide;hydrochloride
이름 및 동의어
SCHEMBL2390645AYEIQWZCHXLLHU-HZPIKELBSA-N(R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo-[1,2-a]imidazole-3-carboxylic acid [1-(1-hydrazinocarbonyl-cyclopropylcarbamoyl)-cyclopropyl]-amide hydrochloride(R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid [1-(1-hydrazinocarbonyl-cyclopropylcarbamoyl)-cyclopropyl]-amide hydrochloride
데이터베이스 식별자
- PubChem CID
- 67389773
물성
구조 계산 물성
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,220
관련 반응
2건
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