Name: MLGFFQQPKPR-NH2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220913132
Cas No:1802883-75-5
常用名:MLGFFQQPKPR-NH2
IUPAC:(2S)-N-[(2S)-1-[(2S)-2-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanamido]pentanediamide
IUPAC:(2S)-N-[(2S)-1-[(2S)-2-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanamido]pentanediamide
InChI key:InChIKey=KXKNWOWEQIRNGE-CUZNLEPHSA-N

分子式:C63H98N18O13S
分子量:1347.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
SMILES:CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

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