기본 정보
- 표준 SMILES
C=CCCCCCC1(S(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@](SCC=C)(c4ccc(-c5ccccc5)cc4)CN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@H]2C(F)F)CC1- InChIKey
ATYJLRPVBFPNGQ-GBFWCLNKSA-N- 분자식
- C46H62F2N4O7S2
- 평균 분자량
- 885.1 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (S)-1-((2S,4R)-4-(allylthio)-4-(biphenyl-4-yl)-2-((1R,2R)-2-(difluoromethyl)-1-(1-(hept-6-enyl)cyclopropylsulfonylcarbamoyl)cyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-2-(difluoromethyl)-1-[(1-hept-6-enylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(4-phenylphenyl)-4-prop-2-enylsulfanylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
tert-butyl (S)-1-((2S,4R)-4-(allylthio)-4-(biphenyl-4-yl)-2-((1R,2R)-2-(difluoromethyl)-1-(1-(hept-6-enyl)cyclopropylsulfonylcarbamoyl)cyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamateSCHEMBL7828723
데이터베이스 식별자
- PubChem CID
- 59366238
물성
구조 계산 물성
- XLogP
- 9.3
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,710
관련 반응
1건
화합물 노트
불러오는 중…