Name: Brevinin-2EC
Rating: 5 (10 reviews)

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HIT ID:HIT217584841
Cas No:
常用名:Brevinin-2EC
IUPAC:(4R,7S,13S,16S,19S,22R)-22-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]hexanamido]-4-methylpentanamido]hexanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]propanamido]hexanamido]-3-hydroxybutanamido]propanamido]acetamido}hexanamido]acetamido}-3-methylbutanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]propanamido]-3-hydroxypropanamido]-19-(4-aminobutyl)-7-(2-carbamoylethyl)-13-(hydroxymethyl)-16-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxylic acid
IUPAC:(4R,7S,13S,16S,19S,22R)-22-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]hexanamido]-4-methylpentanamido]hexanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]propanamido]hexanamido]-3-hydroxybutanamido]propanamido]acetamido}hexanamido]acetamido}-3-methylbutanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]propanamido]-3-hydroxypropanamido]-19-(4-aminobutyl)-7-(2-carbamoylethyl)-13-(hydroxymethyl)-16-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxylic acid
InChI key:REARQTZQIQLGLT-CBBCULQPSA-N

分子式:C154H265N43O46S2
分子量:3519.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(O)=O

Brevinin-2EC为源自Rana esculenta皮肤分泌物的抗菌肽。

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