Name: Cgp 29287
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212689127
Cas No:93287-54-8
常用名:Cgp 29287
别名:Cgp-29287, Cgp29287, Cgp-29,287, Cgp29,287, Cgp 29,287
别名:Cgp-29287, Cgp29287, Cgp-29,287, Cgp29,287, Cgp 29,287
IUPAC:methyl (2S)-2-[(2S)-2-[(2S,3S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxy-6-methylheptanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-6-{[(tert-butoxy)carbonyl]amino}hexanoate
IUPAC:methyl (2S)-2-[(2S)-2-[(2S,3S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxy-6-methylheptanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-6-{[(tert-butoxy)carbonyl]amino}hexanoate
InChI key:DLAHCJHYEAZDLE-VRYQDWSQSA-N

分子式:C72H110N20O15
分子量:1495.797
氢键供体数 (HBD):18
氢键受体数 (HBA):20
LogP:-0.45962945
SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC
SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC

Cgp 29287 is a primate-specific renin inhibitor. It also has a prolonged duration of action.

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