Name: COG-1410 acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432416
Cas No:
常用名:COG-1410 acetate
别名:COG-1410 acetate(878009-24-6 Free base)
IUPAC:(2S)-6-amino-N-[(1S)-1-[(1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]-2-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]-2-methylpropanamido}-4-methylpentanamido]pentanamido]hexanamide; acetic acid
IUPAC:(2S)-6-amino-N-[(1S)-1-[(1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-3-methylbutyl]-2-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]-2-methylpropanamido}-4-methylpentanamido]pentanamido]hexanamide; acetic acid
InChI key:IGOHIYHGGVTSEJ-MUEZTKJBSA-N

分子式:C66H125N21O16
分子量:1468.857
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(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](CCCN=C(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(O)=O.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(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](CCCN=C(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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