methyl (1R,3S)-1-(1-(tert-butoxycarbonyl)-5-chloro-1H-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
기본 정보
- CAS
1395347-28-0- 표준 SMILES
COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)N1- InChIKey
RPJDFROXXPIQAD-LAUBAEHRSA-N- 분자식
- C24H25ClN2O6
- 평균 분자량
- 472.9 g/mol
- 단동위원소 질량
- 472.1401142
이름 및 식별자
- 우선 이름
- methyl (1R,3S)-1-(1-(tert-butoxycarbonyl)-5-chloro-1H-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- IUPAC
- methyl (1R,3S)-1-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- 영어명
- 3-Isoquinolinecarboxylic acid, 1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-, methyl ester, (1R,3S)-
- 분자식
- C24H25ClN2O6
- 분자량
- 472.92
이름 및 동의어
1395347-28-0methyl (1R,3S)-1-(1-(tert-butoxycarbonyl)-5-chloro-1H-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate3-Isoquinolinecarboxylic acid, 1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-, methyl ester, (1R,3S)-methyl (1R,3S)-1-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylateC24H25ClN2O6DTXSID601100423CS-B1487MFCD30748169AKOS037650672CS-15159F788149methyl (1R,3S)-1-(1-tert-butoxycarbonyl-5-chloro-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
이름 더 보기
methyl(1R,3S)-1-(1-(tert-butoxycarbonyl)-5-chloro-1H-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 745
관련 반응
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