Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-[2-[[(2S)-1-[[2-[[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide
WIN 66306 · cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(βR)-β-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl
![(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-[2-[[(2S)-1-[[2-[[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide 분자 구조식](/img/chemical/192562.png)
식별자 및 물리적 특성
| CAS No. | 151928-32-4 |
|---|---|
| 분자식 | C41H52N8O9 |
| 평균 분자량 | 800.9 g/mol |
| 단동위원소 질량 | 800.38572527 g/mol |
| SMILES | CC(C)=CCc1cc([C@@H](O)[C@@H](C=O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CC=CN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)C(C)C)ccc1O |
| InChIKey | MZGWPVIVGCXMPX-QFXPHGGCSA-N |
| PubChem CID | 192562 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 265 |
| 수소 결합 공여자 수 | 9 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 19 |
| 무거운 원자 수 | 58 |
| 형식 전하 | 0 |
| 복잡도 | 1,530 |