(11s,11As)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo [2,1-c][1,4]benzodiazepin-5-one (HCID 66670095)

기본 정보

표준 SMILES: COc1cc2c(cc1OC)N(C(=O)OCC(Cl)(Cl)Cl)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CN1C2=O
InChIKey: VOAOPGKSXAAOEL-ZWKOTPCHSA-N
분자식: C24H33Cl3N2O7Si
평균 분자량: 596 g/mol

이름 및 식별자

우선 이름: (11s,11As)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo [2,1-c][1,4]benzodiazepin-5-one
IUPAC: 2,2,2-trichloroethyl (6S,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-8,11-dioxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

이름 및 동의어

SCHEMBL375069VOAOPGKSXAAOEL-ZWKOTPCHSA-N(11s,11as)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo [2,1-c][1,4]benzodiazepin-5-one(11s,11as)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

데이터베이스 식별자

PubChem CID: 66670095

물성

구조 계산 물성

극성 표면적: 94.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 879

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