Methyl(2S)-2-(tert-butoxy)-2-[(22S,24Z)-16,17-difluoro-4,22,28-trim ethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18,24-undecaen-3-yl]acetate
기본 정보
- 표준 SMILES
COC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc3cn2c1N1CCC(C)(CC1)OC/C=C\C[C@H](C)Oc1ccc(F)c(F)c1-c1cccc-3c1- InChIKey
XGKUIUUMWRSBQR-OPUMAKRKSA-N- 분자식
- C39H45F2N3O5
- 평균 분자량
- 673.8 g/mol
이름 및 식별자
- 우선 이름
- Methyl(2S)-2-(tert-butoxy)-2-[(22S,24Z)-16,17-difluoro-4,22,28-trim ethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18,24-undecaen-3-yl]acetate
- IUPAC
- methyl (2S)-2-[(22S,24Z)-16,17-difluoro-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18,24-undecaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
이름 및 동의어
SCHEMBL17016584XGKUIUUMWRSBQR-OPUMAKRKSA-NMethyl(2S)-2-(tert-butoxy)-2-[(22S,24Z)-16,17-difluoro-4,22,28-trim ethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18,24-undecaen-3-yl]acetatemethyl(2S)-2-(tert-butoxy)-2-[(22S,24Z)-16,17-difluoro-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18,24-undecaen-3-yl]acetate
데이터베이스 식별자
- PubChem CID
- 118316342
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 75.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,270
관련 반응
2건
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