(5-methyl-2-oxo-[1,3]dioxol-4-yl)methyl (E)-(2S,3S)-3-[(S)-2-(4-butoxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-12,12-difluoro-2-hydroxy-2-(2-methoxy-ethyl)-nonadec-4-enoate
기본 정보
- 표준 SMILES
CCCCCCCC(F)(F)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(=O)OCc1oc(=O)oc1C- InChIKey
PKTNGNUKPSXSPE-ARRNYVPBSA-N- 분자식
- C42H63F2NO11
- 평균 분자량
- 795.9 g/mol
이름 및 식별자
- 우선 이름
- (5-methyl-2-oxo-[1,3]dioxol-4-yl)methyl (E)-(2S,3S)-3-[(S)-2-(4-butoxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-12,12-difluoro-2-hydroxy-2-(2-methoxy-ethyl)-nonadec-4-enoate
- IUPAC
- (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (E,2S,3S)-3-[[(2S)-3-(4-butoxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-12,12-difluoro-2-hydroxy-2-(2-methoxyethyl)nonadec-4-enoate
이름 및 동의어
(5-methyl-2-oxo-[1,3]dioxol-4-yl)methyl (E)-(2S,3S)-3-[(S)-2-(4-butoxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-12,12-difluoro-2-hydroxy-2-(2-methoxy-ethyl)-nonadec-4-enoateSCHEMBL15593822
데이터베이스 식별자
- PubChem CID
- 60149012
물성
구조 계산 물성
- XLogP
- 9.6
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,250
관련 반응
1건
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