Name: A2-Binding peptide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320473
Cas No:119425-35-3
常用名:A2-Binding peptide
IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]acetamido}hexanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]acetamido}hexanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
InChI key:NBOKFONQQZRHRY-MBSBSPMSSA-N

分子式:C61H106N14O15
分子量:1275.602
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O |@@:84|
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O |@@:84|

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