6-{[2,2-Bis(3-methyl phenyl)ethyl]amino}-N-[2-[({[2-(diisopropylamino)ethyl]amino}carbonyl)-amino]ethyl]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxamide
기본 정보
- 표준 SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4cccc(C)c4)c4cccc(C)c4)nc(C(=O)NCCNC(=O)NCCN(C(C)C)C(C)C)nc32)[C@H](O)[C@@H]1O- InChIKey
HZJQNDKLVRKVGE-HXEFRTELSA-N- 분자식
- C40H56N10O6
- 평균 분자량
- 772.9 g/mol
이름 및 식별자
- 우선 이름
- 6-{[2,2-Bis(3-methyl phenyl)ethyl]amino}-N-[2-[({[2-(diisopropylamino)ethyl]amino}carbonyl)-amino]ethyl]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxamide
- IUPAC
- 6-[2,2-bis(3-methylphenyl)ethylamino]-N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxamide
이름 및 동의어
SCHEMBL4373700HZJQNDKLVRKVGE-HXEFRTELSA-N6-{[2,2-Bis(3-methyl phenyl)ethyl]amino}-N-[2-[({[2-(diisopropylamino)ethyl]amino}carbonyl)-amino]ethyl]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxamide6-{[2,2-Bis(3-methylphenyl)ethyl]amino}-N-{2-[({[2-(diisopropylamino)ethyl]amino}carbonyl)-amino]ethyl}-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxamide
데이터베이스 식별자
- PubChem CID
- 60091670
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,230
관련 반응
2건
화합물 노트
불러오는 중…