기본 정보
- CAS
112190-17-7- 표준 SMILES
CC[C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccccc1- InChIKey
WZFXKVNGOPMEIY-ZEIOJSLCSA-N- 분자식
- C31H49N5O6
- 평균 분자량
- 587.8 g/mol
- 단동위원소 질량
- 587.3682843
이름 및 식별자
- 우선 이름
- 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-4-(((2-methylbutyl)amino)carbonyl)-1-(2-methylpropyl)hexyl)-alpha-((phenoxyacetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(R*)))-
- IUPAC
- (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S)-2-methylbutyl]-2-propan-2-yloctanamide
이름 및 동의어
112190-17-71H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-4-(((2-methylbutyl)amino)carbonyl)-1-(2-methylpropyl)hexyl)-alpha-((phenoxyacetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(R*)))-DTXSID10149939(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-2-isopropyl-7-methyl-N-[(2S)-2-methylbutyl]octanamide(2R,3R,4R,5S)-3,4-Dihydroxy-7-methyl-N-[(2S)-2-methylbutyl]-5-{[N-(phenoxyacetyl)-L-histidyl]amino}-2-(propan-2-yl)octanamide1H-Imidazole-4-propanamide, N-[2,3-dihydroxy-5-methyl-4-[[(2-methylbutyl)amino]carbonyl]-1-(2-methylpropyl)hexyl]-.alpha.-[(phenoxyacetyl)amino]-, [1S-[1R*(R*),2S*,3S*,4S*(R*)]]-
데이터베이스 식별자
- CAS
112190-17-7- PubChem CID
- 455295
- DTXSID
DTXSID10149939- Nikkaji
- J425.786C
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 822
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