2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-9,10-dihydro-phenanthren-2-yl}-2-oxo-ethyl) ester 2-tert-butyl ester

HCID 66620653

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)CCc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc1-2
InChIKey
DIQICWZXNPVWGU-UHFFFAOYSA-N
분자식
C40H48N2O10
평균 분자량
716.8 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]-9,10-dihydro-phenanthren-2-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]-9,10-dihydrophenanthren-2-yl]-2-oxoethyl] 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

이름 및 동의어

SCHEMBL204525DIQICWZXNPVWGU-UHFFFAOYSA-N2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-9,10-dihydro-phenanthren-2-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]-9,10-dihydro-phenanthren-2-yl}-2-oxo-ethyl)ester 2-tert-butyl ester

데이터베이스 식별자

PubChem CID
66620653

물성

구조 계산 물성

XLogP
6.4
극성 표면적
146 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
14
무거운 원자 수
52

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