Name: RES-701-1
Rating: 5 (10 reviews)

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HIT ID:HIT219250939
Cas No:151308-34-8
常用名:RES-701-1
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(3S,10S,13S,16S,22S,25S,30aS)-10-(carbamoylmethyl)-22-[(1R)-1-hydroxyethyl]-16-[(1H-imidazol-5-yl)methyl]-13-[(1H-indol-3-yl)methyl]-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxo-triacontahydropyrrolo[2,1-c]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-3-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(3S,10S,13S,16S,22S,25S,30aS)-10-(carbamoylmethyl)-22-[(1R)-1-hydroxyethyl]-16-[(1H-imidazol-5-yl)methyl]-13-[(1H-indol-3-yl)methyl]-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxo-triacontahydropyrrolo[2,1-c]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-3-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
InChI key:XIIPOLLCNQAOCP-RYIFUXPHSA-N

分子式:C103H115N23O23
分子量:2043.191
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)C[C@H](NC2=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@@H](C)O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)C[C@H](NC2=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@@H](C)O

RES-701-1 是一种环状多肽，由16种常见的L-氨基酸构成，作为ETB受体的特异性拮抗剂。RES-701-1 通过抑制 125I-ET-1 (125I 标记的内皮素(ET)-1)与ETB受体的结合，表现出IC50值为10 nM的活性。

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