Name: Cyclosporin A-Derivative 2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851884
Cas No:156047-45-9
常用名:Cyclosporin A-Derivative 2
IUPAC:methyl 2-[(2S)-2-[(2S,3R,4R,6E)-3-(acetyloxy)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-N,3-dimethylbutanamido]-4-methylpentanamido]propanamido]-N-methylpropanamido]-N,4-dimethylpentanamido]-N,4-dimethylpentanamido]-N,3-dimethylbutanamido]-4-methyloct-6-enamido]-N-methylbutanamido]acetate
IUPAC:methyl 2-[(2S)-2-[(2S,3R,4R,6E)-3-(acetyloxy)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-N,3-dimethylbutanamido]-4-methylpentanamido]propanamido]-N-methylpropanamido]-N,4-dimethylpentanamido]-N,4-dimethylpentanamido]-N,3-dimethylbutanamido]-4-methyloct-6-enamido]-N-methylbutanamido]acetate
InChI key:UZFGUZDCBKWXNG-LIVSJIKESA-N

分子式:C58H104N10O13
分子量:1149.527
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](N)C(C)C)C(=O)N(C)CC(=O)OC
SMILES:CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](N)C(C)C)C(=O)N(C)CC(=O)OC

Derivative 2 is A novel Derivative of Cyclosporin A.Cyclosporin A is an immunosuppressant that binds to cyclophilin and inhibits calcineurin.

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