Name: PSMα2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218903831
Cas No:
常用名:PSMα2
IUPAC:(2S)-6-amino-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]propanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]hexanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-4-methylpentanamido]-3-methylpentanamido]-4-carboxybutanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}hexanoic acid
IUPAC:(2S)-6-amino-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]propanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]hexanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-4-methylpentanamido]-3-methylpentanamido]-4-carboxybutanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}hexanoic acid
InChI key:UZKKAQZZWFFORF-HVDODJMVSA-N

分子式:C109H185N25O25S
分子量:2277.89
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](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O

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