CAS 574759-32-3 CP-533,536 metabolite M4 (HCID 9956982)

기본 정보

CAS: 574759-32-3
표준 SMILES: CC(C)(CO)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
InChIKey: XKQNMAZMTKTTIA-UHFFFAOYSA-N
분자식: C25H28N2O6S
평균 분자량: 484.6 g/mol

이름 및 식별자

우선 이름: CP-533,536 metabolite M4
IUPAC: 2-[3-[[[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid

이름 및 동의어

CP-533,536 metabolite M4598TY5TBF1UNII-598TY5TBF1574759-32-3(3-(((4-(2-Hydroxy-1,1-dimethylethyl)benzyl)-N-((pyridin-3-yl)sulfonyl)amino)methyl)phenoxy)acetic acid2-(3-((((4-(2-Hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)acetic acidAcetic acid, 2-(3-((((4-(2-hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)-OMEGA-HYDROXY EVATANEPAGSCHEMBL6276293XKQNMAZMTKTTIA-UHFFFAOYSA-N(3-{[[4-(2-Hydroxy-1,1-dimethyl-ethyl)-benzyl]-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid

데이터베이스 식별자

CAS: 574759-32-3
PubChem CID: 9956982
UNII: 598TY5TBF1

물성

구조 계산 물성

XLogP: 3
극성 표면적: 125 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 34
형식 전하: 0
복잡도: 745

화합물 노트

불러오는 중…