(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one

HCID 58118586

기본 정보

표준 SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(CCO)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
InChIKey
MPRRBIHMQZRJKM-LGGPFLRQSA-N
분자식
C29H34N2O5
평균 분자량
490.6 g/mol

이름 및 식별자

우선 이름
(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
IUPAC
(6S)-3-[(1S)-1-[4-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one

이름 및 동의어

SCHEMBL118398CHEMBL3664688MPRRBIHMQZRJKM-LGGPFLRQSA-NBDBM107632US8575157, 86(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one

데이터베이스 식별자

PubChem CID
58118586
ChEMBL
CHEMBL3664688

물성

구조 계산 물성

XLogP
2.8
극성 표면적
90.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
36

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