(2S,3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimethylamino)-2,2-dimethylpropyl)amino) propoxy)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol

HCID 90183140
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기본 정보

표준 SMILES
CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(OCCCNCC(C)(C)CN(C)C)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
YOBIVMOWMUQIMX-MJXUZWQSSA-N
분자식
C30H46N2O5S
평균 분자량
546.8 g/mol

이름 및 식별자

우선 이름
(2S,3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimethylamino)-2,2-dimethylpropyl)amino) propoxy)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol
IUPAC
(2S,3R,4R,5S,6R)-2-[3-[[4-[3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propoxy]phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol

이름 및 동의어

CHEMBL4093607SCHEMBL15748773YOBIVMOWMUQIMX-MJXUZWQSSA-NBDBM176724(2S,3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimethylamino)-2,2-dimethylpropyl)amino) propoxy)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triolUS9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimethylamino)-2,2-dimethylpropyl)amino)propoxy)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol

데이터베이스 식별자

PubChem CID
90183140
ChEMBL
CHEMBL4093607

물성

구조 계산 물성

XLogP
3.8
극성 표면적
120 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
13
무거운 원자 수
38

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