Name: Collagen Type II Fragment
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849187
Cas No:144703-90-2
常用名:Collagen Type II Fragment
IUPAC:(2S)-6-amino-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-6-amino-2-{[(2S)-1-{2-[(2S)-2-{[(2S)-1-{2-[(2S,3R)-3-hydroxy-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]acetyl}pyrrolidin-2-yl]formamido}-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}hexanamido]acetamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]acetamido}-4-carboxybutanamido]-4-methylpentanamido]acetamido}propanoyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-carbamoylpropanamido]hexanamido]acetamido}-4-carboxybutanamido]-4-carbamoylbutanamido]acetyl}pyrrolidin-2-yl]formamido}hexanoic acid
IUPAC:(2S)-6-amino-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-6-amino-2-{[(2S)-1-{2-[(2S)-2-{[(2S)-1-{2-[(2S,3R)-3-hydroxy-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]acetyl}pyrrolidin-2-yl]formamido}-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}hexanamido]acetamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]acetamido}-4-carboxybutanamido]-4-methylpentanamido]acetamido}propanoyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-carbamoylpropanamido]hexanamido]acetamido}-4-carboxybutanamido]-4-carbamoylbutanamido]acetyl}pyrrolidin-2-yl]formamido}hexanoic acid
InChI key:HCXQQGCSVJNETM-GYOWZJRUSA-N

分子式:C106H174N32O37
分子量:2488.745
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O

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