2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester

HCID 66619982

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)COCc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc1-2
InChIKey
QDYOQINVLZGCJD-UHFFFAOYSA-N
분자식
C40H48N2O11
평균 분자량
732.8 g/mol

이름 및 식별자

우선 이름
2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester
IUPAC
2-O-tert-butyl 3-O-[2-[9-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxyacetyl]-5,7-dihydrobenzo[d][2]benzoxepin-3-yl]-2-oxoethyl] 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

이름 및 동의어

SCHEMBL202883QDYOQINVLZGCJD-UHFFFAOYSA-N2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl) ester 2-tert-butyl ester2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{9-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-5,7-dihydro-dibenzo[c,e]oxepin-3-yl}-2-oxo-ethyl)ester 2-tert-butyl ester

데이터베이스 식별자

PubChem CID
66619982

물성

구조 계산 물성

XLogP
5.3
극성 표면적
155 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
14
무거운 원자 수
53

관련 반응

6건

화합물 노트

불러오는 중…