기본 정보
- CAS
874758-73-3- 표준 SMILES
C=CCOC(=O)N1[C@H](COC(C)=O)Cc2cc(C)c(OC)c(OCC=C)c2[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N[C@@H](C(=O)OCC)c1cc(OCOC)c(C)c2c1OCO2- InChIKey
LSTSRQAOLVYZLP-SXKGIHEZSA-N- 분자식
- C43H62N2O13Si
- 평균 분자량
- 843 g/mol
- 단동위원소 질량
- 842.40211657
이름 및 식별자
- 우선 이름
- EP52E5PF63
- IUPAC
- prop-2-enyl (1R,3S)-3-(acetyloxymethyl)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
이름 및 동의어
874758-73-3EP52E5PF632(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)-2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (1R,3S)-2-Propen-1-yl (1R,3S)-3-[(acetyloxy)methyl]-1-[(1R)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-2(1H)-isoquinolinecarboxylateProp-2-enyl (1R,3S)-3-(acetyloxymethyl)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,400
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