Name: IRBP derived peptide, R16
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584722
Cas No:
常用名:IRBP derived peptide, R16
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-[({[(1S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-[({[(1S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]butanoic acid
InChI key:AYMGCOQOTSECLR-JHRUTCCQSA-N

分子式:C64H96N16O24
分子量:1473.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(O)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(O)=O

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