Name: GL189
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848087
Cas No:552337-94-7
常用名:GL189
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-3-hydroxy-6-methylheptanamido]-3-methylbutanamido]propanamido]-4-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-3-hydroxy-6-methylheptanamido]-3-methylbutanamido]propanamido]-4-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butanoic acid
InChI key:UEVJWCGGKBQXDV-TVZWHCCBSA-N

分子式:C44H70N10O14
分子量:963.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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