Name: Ige octapeptide (497-504)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718015
Cas No:90274-65-0
常用名:Ige octapeptide (497-504)
IUPAC:(2S)-6-amino-N-({[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}methyl)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]hexanamide
IUPAC:(2S)-6-amino-N-({[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}methyl)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]hexanamide
InChI key:WZJZWBWEYCELDY-KQPNNKGBSA-N

分子式:C41H63N11O10
分子量:870.022
氢键供体数 (HBD):13
氢键受体数 (HBA):13
LogP:-5.1665072
SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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