(2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate

HCID 44543304

기본 정보

표준 SMILES
Cc1cc(C[C@H](C(=O)OC(C)C)[C@@H](O)C(=O)OC(C)C)nc(-n2c(C)ccc2C)c1
InChIKey
MLZYXKCVOOHJEO-PZJWPPBQSA-N
분자식
C23H32N2O5
평균 분자량
416.5 g/mol

이름 및 식별자

우선 이름
(2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate
IUPAC
dipropan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methyl]-3-hydroxybutanedioate

이름 및 동의어

SCHEMBL2858397MLZYXKCVOOHJEO-PZJWPPBQSA-N(2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate

데이터베이스 식별자

PubChem CID
44543304
Nikkaji
J2.802.018J

물성

구조 계산 물성

XLogP
3.8
극성 표면적
90.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
30

관련 반응

2건

화합물 노트

불러오는 중…

(2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate (HCID 44543304)|Huagongshe