1,1-dimethylethyl (2R)-2-(1-{[(phenylmethyl)oxy]carbonyl}-3-{[(2R)-3,3,3-trifluoro-2-(methyloxy)-2-phenylpropanoyl]oxy}azetidin-3-yl)piperidine-1-carboxylate

HCID 67051588

기본 정보

표준 SMILES
CO[C@@](C(=O)OC1([C@H]2CCCCN2C(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1)(c1ccccc1)C(F)(F)F
InChIKey
ORSIQTYSYXKKMA-AYWVHJORSA-N
분자식
C31H37F3N2O7
평균 분자량
606.6 g/mol
단동위원소 질량
606.25528601

이름 및 식별자

우선 이름
1,1-dimethylethyl (2R)-2-(1-{[(phenylmethyl)oxy]carbonyl}-3-{[(2R)-3,3,3-trifluoro-2-(methyloxy)-2-phenylpropanoyl]oxy}azetidin-3-yl)piperidine-1-carboxylate
IUPAC
tert-butyl (2R)-2-[1-phenylmethoxycarbonyl-3-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyazetidin-3-yl]piperidine-1-carboxylate

이름 및 동의어

1,1-dimethylethyl (2R)-2-(1-{[(phenylmethyl)oxy]carbonyl}-3-{[(2R)-3,3,3-trifluoro-2-(methyloxy)-2-phenylpropanoyl]oxy}azetidin-3-yl)piperidine-1-carboxylateSCHEMBL14884251,1-dimethylethyl(2r)-2-(1-{[(phenylmethyl)oxy]carbonyl}-3-{[(2r)-3,3,3-trifluoro-2-(methyloxy)-2-phenylpropanoyl]oxy}azetidin-3-yl)piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
67051588

물성

구조 계산 물성

XLogP
5.5
극성 표면적
94.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
11
무거운 원자 수
43

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