Name: Xenopsin precursor fragment
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851761
Cas No:108460-66-8
常用名:Xenopsin precursor fragment
IUPAC:(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxypropanamido]hexanamido]-3-methylpentanamido]acetamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]hexanamido]-3-methylbutanamido]acetamido}-4-methylpentanamido]hexanamido]-4-carboxybutanamido]-4-methylpentanamido]-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}hexanoic acid
IUPAC:(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxypropanamido]hexanamido]-3-methylpentanamido]acetamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]hexanamido]-3-methylbutanamido]acetamido}-4-methylpentanamido]hexanamido]-4-carboxybutanamido]-4-methylpentanamido]-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}hexanoic acid
InChI key:JMORVQKOPFUBNH-PRHKUGFBSA-N

分子式:C123H211N33O32
分子量:2664.24
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O

Xenopsin precursor fragment 为抗菌肽，展现抗菌/抗真菌(MIC: 10-500 μg/mL)及抗原虫(MIC: 2-20 μg/mL)效能。

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