2-[4-(4-{4-[2-(1-tert-butylcarbamyl-pyrrolidin-2-yl)-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl}-2-oxo-2H-pyridin-1-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester (HCID 86762793)

기본 정보

표준 SMILES: CC(C)(C)NC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccn(-c4cn(COCC[Si](C)(C)C)c(C5CCCN5C(=O)OC(C)(C)C)n4)c(=O)c3)cc2)n1COCC[Si](C)(C)C
InChIKey: AQMWAXZMTRJYSM-UHFFFAOYSA-N
분자식: C47H72N8O6Si2
평균 분자량: 901.3 g/mol

이름 및 식별자

우선 이름: 2-[4-(4-{4-[2-(1-tert-butylcarbamyl-pyrrolidin-2-yl)-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl}-2-oxo-2H-pyridin-1-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 2-[4-[4-[4-[2-[1-(tert-butylcarbamoyl)pyrrolidin-2-yl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]-2-oxo-1-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL204699AQMWAXZMTRJYSM-UHFFFAOYSA-N2-[4-(4-{4-[2-(1-tert-butylcarbamyl-pyrrolidin-2-yl)-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl}-2-oxo-2H-pyridin-1-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID: 86762793

물성

구조 계산 물성

극성 표면적: 136 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 18
무거운 원자 수: 63
형식 전하: 0
복잡도: 1,630

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