Name: d[Cha4]-AVP
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217629976
Cas No:500170-27-4
常用名:d[Cha4]-AVP
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-7-(carbamoylmethyl)-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-7-(carbamoylmethyl)-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
InChI key:ZKYCVZNKBXGNEK-ZTYVOHGWSA-N

分子式:C50H71N13O11S2
分子量:1094.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1
SMILES:NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1

Potent and selective human vasopressin V1B receptor agonist (Ki values are 1.2, 151, 240 and 750 nM for V1B, V1A, Oxytocin and V2 receptors respectively). Stimulates ACTH and corticosterone secretion and exhibits negligible vasopressor activity in vivo.

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