기본 정보
- 표준 SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)n1COCC[Si](C)(C)C)C(C)C- InChIKey
BYEGGOVTJAASFV-UHFFFAOYSA-N- 분자식
- C38H54N6O6Si
- 평균 분자량
- 719 g/mol
이름 및 식별자
- 우선 이름
- 4-{4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl]-piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]piperazine-1-carboxylate
이름 및 동의어
4-{4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl]-piperazine-1-carboxylic acid benzyl ester4-{4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl}-piperazine-1-carboxylic acid benzyl esterSCHEMBL203594BYEGGOVTJAASFV-UHFFFAOYSA-N4-{-4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl}-piperazine-1-carboxylic acid benzyl ester
데이터베이스 식별자
- PubChem CID
- 66620260
물성
구조 계산 물성
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
13건
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