Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-(2-oxoethylidenecarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
cyclo(alanyl-leucyl-prolyl-glycyl)2 · (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]-N-[[ (1S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-((E)-2-oxoethylidenecarbamoyl)p yrrolidin-1-yl]pentan-2-yl]carbamoyl]ethyl]carbamoylmethyl]pyrrolidine -2-carboxamide
![(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-(2-oxoethylidenecarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide 분자 구조식](/img/chemical/3083385.png)
식별자 및 물리적 특성
| CAS No. | 143738-75-4 |
|---|---|
| 분자식 | C32H52N8O8 |
| 평균 분자량 | 676.8 g/mol |
| 단동위원소 질량 | 676.39081065 g/mol |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N=CC=O |
| InChIKey | AKHJRENTTNMUBB-BTNSXGMBSA-N |
| PubChem CID | 3083385 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 230 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 48 |
| 형식 전하 | 0 |
| 복잡도 | 1,240 |
| 끓는 점 | 1128.331±65.00 °C(Press: 760.00 Torr)(predicted) |
| 밀도 | 1.274±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa(산도 계수) | 13.082±0.70(predicted) |