기본 정보
- CAS
872599-83-2- 표준 SMILES
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C- InChIKey
UWHCWRQFNKUYCG-QUZACWSFSA-N- 분자식
- C30H38N4O4
- 평균 분자량
- 518.6 g/mol
- 단동위원소 질량
- 518.2893057
개요
Epelsiban is a dipeptide.
이름 및 식별자
- 우선 이름
- (3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl)-6-((1S)-1-methylpropyl)-2,5-piperazinedione
- IUPAC
- (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
- 영어명
- Epelsiban
- 분자식
- C30H38N4O4
- 분자량
- 518.65
이름 및 동의어
EPELSIBAN872599-83-2T2EZ19HX73(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl)-6-((1S)-1-methylpropyl)-2,5-piperazinedione2,5-PIPERAZINEDIONE, 3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYL-3-PYRIDINYL)-2-(4-MORPHOLINYL)-2-OXOETHYL)-6-((1S)-1-METHYLPROPYL)-, (3R,6R)-epelsibanum(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedioneRefChem:906044(3R,6R)-6-((2S)-butan-2-yl)-3-(2,3-dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin-4-yl)-2-oxoethyl)piperazine-2,5-dioneGSK557296Epelsiban [USAN]GSK-557296
이름 더 보기
(3R,6R)-6-((S)-sec-butyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-((R)-1-(2,6-dimethylpyridin-3-yl)-2-morpholino-2-oxoethyl)piperazine-2,5-dione2,5-Piperazinedione, 3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-, (3R,6R)-
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 862
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 790.6 · 790.6±60.0 °C(Predicted)
- 밀도
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 13.16 · 13.16±0.60(Predicted)
화학 및 산업
공급사8 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海智乾生物科技有限公司[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
관련 반응
5건
화합물 노트
불러오는 중…