Name: COG1410
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212682519
Cas No:878009-24-6
常用名:COG1410
别名:COG-1410, COG 1410
IUPAC:(2S)-6-amino-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]-2-methylpropanamido}-4-methylpentanamido]pentanamido]hexanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]hexanamide
IUPAC:(2S)-6-amino-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]-2-methylpropanamido}-4-methylpentanamido]pentanamido]hexanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]hexanamide
InChI key:RPCLHYWMLWFFTE-VKTQGLPSSA-N

分子式:C64H121N21O14
分子量:1408.805
氢键供体数 (HBD):22
氢键受体数 (HBA):22
LogP:-5.3067203
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(N)=O

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