Name: TNF-α (46-65), human
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT218851941
Cas No:144796-72-5
常用名:TNF-α (46-65), human
IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carboxybutanamido]acetamido}-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-4-methylpentanamido]-3-phenylpropanamido]hexanoic acid
IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carboxybutanamido]acetamido}-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-4-methylpentanamido]-3-phenylpropanamido]hexanoic acid
InChI key:PWGYWWKGQCDMMY-SROYKZPFSA-N

分子式:C110H172N24O30
分子量:2310.724
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O

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