2,2-dimethyl-3-((3-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)propyl)-amino)propanamide

HCID 76070898
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(OCCCNCC(C)(C)C(N)=O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
CZUTUQRGNNHVID-PUHDZGQXSA-N
분자식
C28H40N2O6S
평균 분자량
532.7 g/mol
단동위원소 질량
532.26070817

이름 및 식별자

우선 이름
2,2-dimethyl-3-((3-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)propyl)-amino)propanamide
IUPAC
2,2-dimethyl-3-[3-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]phenyl]methyl]phenoxy]propylamino]propanamide

이름 및 동의어

CHEMBL6004474SCHEMBL15748707CZUTUQRGNNHVID-PUHDZGQXSA-NBDBM1767112,2-dimethyl-3-((3-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)propyl)-amino)propanamideUS9688710, 134 2,2-dimethyl-3-((3-(4-(2-methyl-5-((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)propyl)amino)propanamide

데이터베이스 식별자

PubChem CID
76070898
ChEMBL
CHEMBL6004474

물성

구조 계산 물성

XLogP
2.3
극성 표면적
160 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
37

관련 반응

1건
반응 기록 만들기

연결된 노트

불러오는 중…