Name: Ac-LEVDGWK(Dnp)-NH2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849883
Cas No:
常用名:Ac-LEVDGWK(Dnp)-NH2
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]-4-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]-4-methylpentanamido]butanoic acid
InChI key:FZHCQYIIJLQHHB-OZJJTWAVSA-N

分子式:C57H70N12O19
分子量:1227.252
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc2c(CC(=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)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc(=O)oc2c1
SMILES:COc1ccc2c(CC(=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)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc(=O)oc2c1

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