Name: STE-MEK1(13)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851810
Cas No:566872-15-9
常用名:STE-MEK1(13)
别名:Ste-MPKKKPTPIQLNP-NH₂, ERK Activation Inhibitor Peptide
别名:Ste-MPKKKPTPIQLNP-NH₂, ERK Activation Inhibitor Peptide
IUPAC:(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-octadecanamidobutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-N-[(1S)-1-{[(2S)-3-carbamoyl-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl]pentanediamide
IUPAC:(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-octadecanamidobutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-N-[(1S)-1-{[(2S)-3-carbamoyl-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl]pentanediamide
InChI key:JTGVJZGFSQPZSN-ANGLJYEKSA-N

分子式:C86H153N19O17S
分子量:1757.35
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O
SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O

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