(R)-2-((S)-2-(6-(9,9-difluoro-7-(2-((S)-7-((S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc4c(c3)C(F)(F)c3cc(-c5ccc6nc([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)[nH]c6c5)ccc3-4)[nH]1)OCCO2)C(C)C- InChIKey
ASROJLAMDLYRLM-QSJDGAHRSA-N- 분자식
- C50H50F2N8O8
- 평균 분자량
- 929 g/mol
- 단동위원소 질량
- 928.37196691
이름 및 식별자
- 우선 이름
- (R)-2-((S)-2-(6-(9,9-difluoro-7-(2-((S)-7-((S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester
- IUPAC
- methyl N-[(1R)-2-[(2S)-2-[6-[9,9-difluoro-7-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
이름 및 동의어
SCHEMBL6126719ASROJLAMDLYRLM-QSJDGAHRSA-N(R)-2-((S)-2-(6-(9,9-difluoro-7-(2-((S)-7-((S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 87945791
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 1,840
관련 반응
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