(2S,3S)-2-(3,5-difluorobenzyl)-3-((2R,4R)-4-(allyloxy)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxypropanoic acid

HCID 67316915

기본 정보

표준 SMILES
C=CCO[C@@H]1C[C@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)C(=O)O)N(C(=O)OC(C)(C)C)C1
InChIKey
WPMPSIGXCBRTKA-HCXYKTFWSA-N
분자식
C22H29F2NO6
평균 분자량
441.5 g/mol

이름 및 식별자

우선 이름
(2S,3S)-2-(3,5-difluorobenzyl)-3-((2R,4R)-4-(allyloxy)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxypropanoic acid
IUPAC
(2S,3S)-2-[(3,5-difluorophenyl)methyl]-3-hydroxy-3-[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enoxypyrrolidin-2-yl]propanoic acid

이름 및 동의어

SCHEMBL2207180WPMPSIGXCBRTKA-HCXYKTFWSA-N(2S,3 S)-2-(3,5-difluorobenzyl)-3-((2R,4R)-4-(allyloxy)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxypropanoic acid(2S,3S)-2-(3,5-difluorobenzyl)-3-((2R,4R)-4-(allyloxy)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxypropanoic acid

데이터베이스 식별자

PubChem CID
67316915

물성

구조 계산 물성

XLogP
2.9
극성 표면적
96.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
31

관련 반응

10건

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