기본 정보
- 표준 SMILES
CCc1nc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(CNS(=O)(=O)CC(C)C)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)no1- InChIKey
JBFMPMBWSICCTM-NLVFCZGTSA-N- 분자식
- C36H42N8O8S
- 평균 분자량
- 746.8 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5R)-4-(Acetyloxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}9H-purin-9-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydro-3-furanyl acetate
- IUPAC
- [(2R,3R,4R,5R)-4-acetyloxy-5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]purin-9-yl]-2-(5-ethyl-1,2,4-oxadiazol-3-yl)oxolan-3-yl] acetate
이름 및 동의어
SCHEMBL7069292JBFMPMBWSICCTM-NLVFCZGTSA-N(2R,3R,4R,5R)-4-(Acetyloxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}-9H-purin-9-yl)-5-(5-ethyl- 1,2,4-oxadiazol-3-yl )tetrahydro-3-furanyl Acetate(2R,3R,4R,5R)-4-(Acetyloxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}9H-purin-9-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydro-3-furanyl acetate
데이터베이스 식별자
- PubChem CID
- 59094533
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,290
관련 반응
1건
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