기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)sc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc12- InChIKey
WIXHULQBHYAYGN-UHFFFAOYSA-N- 분자식
- C38H44N2O10S
- 평균 분자량
- 720.8 g/mol
이름 및 식별자
- 우선 이름
- 2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-dibenzothiophen-3-yl]-2-oxo-ethyl) ester 2-tert-butyl ester
- IUPAC
- 2-O-tert-butyl 3-O-[2-[7-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxyacetyl]dibenzothiophen-3-yl]-2-oxoethyl] 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
이름 및 동의어
2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-dibenzothiophen-3-yl]-2-oxo-ethyl) ester 2-tert-butyl ester2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-dibenzothiophen-3-yl}-2-oxo-ethyl) ester 2-tert-butyl esterSCHEMBL9932688WIXHULQBHYAYGN-UHFFFAOYSA-N2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-dibenzothiophen-3-yl}-2-oxo-ethyl)ester 2-tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 67971683
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,390
관련 반응
4건
화합물 노트
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