Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
단실이소시클로스포린A
단실이소시클로스포린A · dansylisocyclosporin A · Isocyclosporin A, 1-(N-(2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)methylamino)-3-hydroxy-4-methyl-1-oxo-6-octenyl)-L-2-aminobutanoic acid)-, (2S-(2R*,3S*,4S*,6E))- · Isocyclosporin A, 1-[N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]methylamino]-3-hydroxy-4-methyl-1-oxo-6-octenyl]-L-2-aminobutanoic acid]-, [2S-(2R*,3S*,4S*,6E)]- (9CI)
식별자 및 물리적 특성
| CAS No. | 134998-06-4 |
|---|---|
| 분자식 | C74H122N12O14S |
| 평균 분자량 | 1,435.92 g/mol |
| SMILES | C/C=C\CC(C)C1OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)C1N(C)S(=O)(=O)c1cccc2c(N(C)C)cccc12 |
| InChIKey | PEESMJPKWWGPHE-UHFFFAOYSA-N |
| PubChem CID | 6450113 |
| 현지명 | 단실이소시클로스포린A |
화학 및 물리적 성질
| 밀도 | 1.19±0.1 g/cm3(Predicted) |
|---|---|
| pKa(산도 계수) | 13.23±0.70(Predicted) |