Di-tert-butyl (1S,2R,3S,4R,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(4-fluoro-3-methyl-phenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate

HCID 67639424
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기본 정보

표준 SMILES
Cc1cc(SC[C@@H]2[C@H](O)[C@H]3[C@H](C(=O)OC(C)(C)C)[C@H]3[C@]2(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1F
InChIKey
XGVGUGMQTIMWJZ-OWEZLJEQSA-N
분자식
C29H42FNO7S
평균 분자량
567.7 g/mol

이름 및 식별자

우선 이름
Di-tert-butyl (1S,2R,3S,4R,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(4-fluoro-3-methyl-phenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate
IUPAC
ditert-butyl (1S,2R,3S,4R,5R,6R)-3-[(4-fluoro-3-methylphenyl)sulfanylmethyl]-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate

이름 및 동의어

SCHEMBL8607209XGVGUGMQTIMWJZ-OWEZLJEQSA-NDi-tert-butyl (1S,2R,3S,4R,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(4-fluoro-3-methyl-phenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylateDi-tert-butyl (1S,2R,3S,4R,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-{[(4-fluoro-3-methyl-phenyl)sulfanyl]methyl}-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylate

데이터베이스 식별자

PubChem CID
67639424

물성

구조 계산 물성

XLogP
4.9
극성 표면적
136 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
12
무거운 원자 수
39

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