Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-va ly)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-az ahexane · 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-[(1S)-1-methylpropyl]-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-
![methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate 분자 구조식](/img/chemical/467968.png)
식별자 및 물리적 특성
| CAS No. | 198904-08-4 |
|---|---|
| 분자식 | C35H48N6O7S |
| 평균 분자량 | 696.9 g/mol |
| 단동위원소 질량 | 696.33051888 g/mol |
| SMILES | CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C |
| InChIKey | JFRXBUNFYMOCOU-LTUSVDMXSA-N |
| PubChem CID | 467968 |
| DTXSID | DTXSID60173663 |
화학 및 물리적 성질
| XLogP | 5.3 |
|---|---|
| 극성 표면적 | 199 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 19 |
| 무거운 원자 수 | 49 |
| 형식 전하 | 0 |
| 복잡도 | 1,040 |
| 밀도 | 1.219±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 11.03±0.46(Predicted) |