Name: Velmupressin acetate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218852374
Cas No:1647120-04-4
常用名:Velmupressin acetate
别名:V2 receptor (V2R) agonist, c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2 acetate
别名:V2 receptor (V2R) agonist, c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2 acetate
IUPAC:(2S)-N-(4-carbamimidamidobutyl)-1-[(3R,6S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide; acetic acid
IUPAC:(2S)-N-(4-carbamimidamidobutyl)-1-[(3R,6S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide; acetic acid
InChI key:PNPCMIRIZDDNND-KHRZGUIVSA-N

分子式:C44H64ClN11O10S2
分子量:1006.63
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC(C)C1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
SMILES:CC(O)=O.CC(C)C1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N

c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2 acetate is a potent, selective and short-acting peptidic V2 receptor (V2R) agonist with EC50s of 0.07 and 0.02 nM for hV2R and rV2R, respectively.

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