Name: RGD-targeted Proapoptotic Peptide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584621
Cas No:
常用名:RGD-targeted Proapoptotic Peptide
常用名:RGD-targeted Proapoptotic Peptide
IUPAC:(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-[(2R)-2-[(2R)-6-amino-2-[2-(2-{[(1R,4S,7R,12R,15S,18R,21S,27S)-7-[(2S)-2-aminopropanamido]-15-benzyl-27-(3-carbamimidamidopropyl)-4,21-bis(carboxymethyl)-3,6,14,17,20,23,26,29-octaoxo-9,10,31,32-tetrathia-2,5,13,16,19,22,25,28-octaazabicyclo[16.11.4]tritriacontan-12-yl]formamido}acetamido)acetamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]-4-methylpentanamido]propanamido]hexanoic acid
IUPAC:(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-[(2R)-2-[(2R)-6-amino-2-[2-(2-{[(1R,4S,7R,12R,15S,18R,21S,27S)-7-[(2S)-2-aminopropanamido]-15-benzyl-27-(3-carbamimidamidopropyl)-4,21-bis(carboxymethyl)-3,6,14,17,20,23,26,29-octaoxo-9,10,31,32-tetrathia-2,5,13,16,19,22,25,28-octaazabicyclo[16.11.4]tritriacontan-12-yl]formamido}acetamido)acetamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]hexanamido]-4-methylpentanamido]propanamido]hexanamido]-4-methylpentanamido]propanamido]hexanoic acid
InChI key:NEUVHFXXJASAGM-OLIUSSAUSA-N

分子式:C116H199N35O31S4
分子量:2708.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N2)C(=O)NCC(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(O)=O
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N2)C(=O)NCC(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(O)=O

RGD-targeted Proapoptotic Peptide为一肽类化合物，其C端RGD-4C肽段（ACDCRGDCFC）能够特异性地与肿瘤新生血管的整合素结合位点优先结合。

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