Name: LLLEVPGS TFA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219461927
Cas No:
常用名:LLLEVPGS TFA
别名:LLLEVPGS 三氟乙酸盐
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]-4-{[(2S)-1-[(2S)-2-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}butanoic acid; trifluoroacetic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]-4-{[(2S)-1-[(2S)-2-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}butanoic acid; trifluoroacetic acid
InChI key:OIFGSDLTTCBCOV-LHSUWQODSA-N

分子式:C40H67F3N8O14
分子量:941.013
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(O)=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(O)=O

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