기본 정보
- 표준 SMILES
CCn1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(CNS(=O)(=O)CC(C)C)nc43)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)nn1- InChIKey
BACQNWNXLRRVKC-NLDAQNIYSA-N- 분자식
- C46H47N9O7S
- 평균 분자량
- 870 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5R)-4-(Benzoyloxy)-5-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}-9H-purin-9-yl)-2-(1-ethyl-1H-1,2,3-triazol-4-yl)tetrahydro-3-furanyl benzoate
- IUPAC
- [(2R,3R,4R,5R)-4-benzoyloxy-5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]purin-9-yl]-2-(1-ethyltriazol-4-yl)oxolan-3-yl] benzoate
이름 및 동의어
SCHEMBL7075286BACQNWNXLRRVKC-NLDAQNIYSA-N(2R,3R,4R,5R)-4-(Benzoyloxy)-5-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}-9H-purin-9-yl)-2-(1-ethyl-1 H-1,2,3-triazol-4-yl)tetrahydro-3-furanyl Benzoate(2R,3R,4R,5R)-4-(Benzoyloxy)-5-(6-[(2,2-diphenylethyl)amino]-2-{[(isobutylsulphonyl)amino]methyl}-9H-purin-9-yl)-2-(1-ethyl-1H-1,2,3-triazol-4-yl)tetrahydro-3-furanyl benzoate
데이터베이스 식별자
- PubChem CID
- 59094540
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,550
관련 반응
1건
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