2,2-dimethylmalonic acid 5-{(4-carbamimidoylphenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-metho xyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2,2-dimethylpropyl ester acetate

HCID 86677394
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기본 정보

표준 SMILES
CC(=O)O.COc1cc(OCCO)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OCC(C)(C)C)n(-c3ncccn3)n2)c1
InChIKey
JDGXFMHLWRSDNV-UHFFFAOYSA-N
분자식
C36H45FN8O10
평균 분자량
768.8 g/mol

이름 및 식별자

우선 이름
2,2-dimethylmalonic acid 5-{(4-carbamimidoylphenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-metho xyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2,2-dimethylpropyl ester acetate
IUPAC
acetic acid;1-O-[[5-[(4-carbamimidoylanilino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl] 3-O-(2,2-dimethylpropyl) 2,2-dimethylpropanedioate

이름 및 동의어

SCHEMBL14716244JDGXFMHLWRSDNV-UHFFFAOYSA-N2,2-dimethylmalonic acid 5-{(4-carbamimidoylphenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-metho xyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2,2-dimethylpropyl ester acetate2,2-dimethylmalonic acid 5-{(4-carbamimidoylphenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2,2-dimethylpropyl ester acetate

데이터베이스 식별자

PubChem CID
86677394

물성

구조 계산 물성

극성 표면적
256 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
17
회전 가능 결합 수
19
무거운 원자 수
55

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