기본 정보
- CAS
134450-39-8- 표준 SMILES
CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1- InChIKey
AWRHPLDWFNPOAL-UIOOFZCWSA-N- 분자식
- C30H34F2N4O3
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.25989728
이름 및 식별자
- 우선 이름
- Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-
- IUPAC
- (2S)-N-[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)butanamide
이름 및 동의어
134450-39-8CHEMBL52051Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-5(S)-(N-(2-Pyridyl)-methylaminocarbonyl-L-valinyl)-amino-3,3-difluoro-1,6-diphenyl-4-oxo-hexaneButanamide, N-[3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[(2-pyridinylmethyl)amino]carbonyl]amino]-, [S-(R*,R*)]-DTXSID40158711BDBM50000813(2S)-N-[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]-3-methyl-2-(2-pyridylmethylcarbamoylamino)butanamideN-[(2S)-4,4-Difluoro-3-oxo-1,6-diphenylhexan-2-yl]-N~2~-{[(pyridin-2-yl)methyl]carbamoyl}-L-valinamide
데이터베이스 식별자
- CAS
134450-39-8- PubChem CID
- 452983
- DTXSID
DTXSID40158711- ChEMBL
CHEMBL52051
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 782
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…