(R)-tert-butyl (2-(2,8-bis((tert-butoxycarbonyl)oxy)quinolin-5-yl)-2-((tert-butyldimethylsilyl)oxy)ethyl)(6-(4-(4-(3-((1,6-diethyl-4-((tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)ureido)phenyl)butoxy)hexyl)carbamate (HCID 86659067)

기본 정보

표준 SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)Nc1ccc(CCCCOCCCCCCN(C[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(OC(=O)OC(C)(C)C)c3nc(OC(=O)OC(C)(C)C)ccc23)C(=O)OC(C)(C)C)cc1
InChIKey: LGXWIYKBFRGQFW-DTSDQNDWSA-N
분자식: C65H98N8O12Si
평균 분자량: 1,211.6 g/mol

이름 및 식별자

우선 이름: (R)-tert-butyl (2-(2,8-bis((tert-butoxycarbonyl)oxy)quinolin-5-yl)-2-((tert-butyldimethylsilyl)oxy)ethyl)(6-(4-(4-(3-((1,6-diethyl-4-((tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)ureido)phenyl)butoxy)hexyl)carbamate
IUPAC: tert-butyl [5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[6-[4-[4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoylamino]phenyl]butoxy]hexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]quinolin-8-yl] carbonate

이름 및 동의어

SCHEMBL1313971LGXWIYKBFRGQFW-DTSDQNDWSA-N(R)-tert-butyl (2-(2,8-bis((tert-butoxycarbonyl)oxy)quinolin-5-yl)-2-((tert-butyldimethylsilyl)oxy)ethyl)(6-(4-(4-(3-((1,6-diethyl-4-((tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)ureido)phenyl)butoxy)hexyl)carbamate

데이터베이스 식별자

PubChem CID: 86659067

물성

구조 계산 물성

극성 표면적: 225 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 16
회전 가능 결합 수: 35
무거운 원자 수: 86
형식 전하: 0
복잡도: 2,070

화합물 노트

불러오는 중…