Name: RhTx
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218903997
Cas No:
常用名:RhTx
IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S,3S)-2-{[(1R,4S,7S,13S,16S,19S,22R,27R,33S,36S,42S,45S,52R,55S,64S)-52-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-amido]-16-(4-aminobutyl)-7-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-55-(carbamoylmethyl)-13-(carboxymethyl)-64-[(1R)-1-hydroxyethyl]-4,36-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,28,34,37,40,43,46,53,56,59,62,65-octadecaoxo-10,61-bis(propan-2-yl)-24,25,49,50-tetrathia-3,6,9,12,15,18,21,29,35,38,41,44,47,54,57,60,63,66-octadecaazatricyclo[25.20.19.0^{29,33}]hexahexacontan-22-yl]formamido}-3-methylpentanamido]hexanamido]hexanamido]pentanedioic acid
IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S,3S)-2-{[(1R,4S,7S,13S,16S,19S,22R,27R,33S,36S,42S,45S,52R,55S,64S)-52-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-amido]-16-(4-aminobutyl)-7-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-55-(carbamoylmethyl)-13-(carboxymethyl)-64-[(1R)-1-hydroxyethyl]-4,36-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,28,34,37,40,43,46,53,56,59,62,65-octadecaoxo-10,61-bis(propan-2-yl)-24,25,49,50-tetrathia-3,6,9,12,15,18,21,29,35,38,41,44,47,54,57,60,63,66-octadecaazatricyclo[25.20.19.0^{29,33}]hexahexacontan-22-yl]formamido}-3-methylpentanamido]hexanamido]hexanamido]pentanedioic acid
InChI key:FMTXAEZFKWWFIE-DUQHRPFNSA-N

分子式:C123H201N37O40S4
分子量:2966.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)C(NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC2=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)C(NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC2=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(O)=O

RhTx，一种瞬时受体电位香草蛋白 1 (TRPV1) 的激活剂，主要应用于痛觉研究领域。

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供应商
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规格
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