Name: Alisporivir intermediate-1
Rating: 5 (10 reviews)

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HIT ID:HIT218852013
Cas No:882506-05-0
常用名:Alisporivir intermediate-1
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-[(2S)-2-[(2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}-N-ethylpropanamido]-3-methylbutanamido]-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-[(2S)-2-[(2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}-N-ethylpropanamido]-3-methylbutanamido]-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:VJCXXMOVYUECHI-FNVMUSLKSA-N

分子式:C74H132N12O17
分子量:1461.937
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](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)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](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)C)C(=O)N(C)CC(=O)OC

Alisporivir intermediate-1 is a crucial intermediate compound utilized in the synthesis process of Alisporivir, a therapeutic agent employed for the treatment of inflammatory and viral ailments.

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