N-[(2S)-4-Methyl-1-[[(4R,7S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
기본 정보
- CAS
362507-64-0- 표준 SMILES
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O- InChIKey
BWYBBMQLUKXECQ-TYPHKJRUSA-N- 분자식
- C27H32N4O6S
- 평균 분자량
- 540.6 g/mol
- 단동위원소 질량
- 540.20425593
이름 및 식별자
- 우선 이름
- N-[(2S)-4-Methyl-1-[[(4R,7S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
- IUPAC
- N-[(2S)-4-methyl-1-[[(4R,7S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
- 영어명
- N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide
- 분자식
- C27H32N4O6S
- 분자량
- 540.63
이름 및 동의어
362507-64-0N-[(2S)-4-Methyl-1-[[(4R,7S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamideAzepan-3-one compound 13CHEMBL202991SCHEMBL6215260BDBM19781DTXSID104361142-Benzofurancarboxamide, N-[(1S)-1-[[[(4R,7S)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-N-((S)-4-Methyl-1-(((4R,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl)amino)-1-oxopentan-2-yl)benzofuran-2-carboxamide(2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4R,7S)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamideN-[(2S)-4-Methyl-1-{[(4R,7S)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]amino}-1-oxopentan-2-yl]-1-benzofuran-2-carboxamideN-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide
데이터베이스 식별자
- CAS
362507-64-0
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 967
물리화학적 성질
- 밀도
- 1.34 · 1.34
- 산도 계수 (pKa)
- 12.62 · 12.62±0.46(Predicted)
관련 반응
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