Name: Ota-vasotocin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317888
Cas No:114056-26-7
常用名:Ota-vasotocin
别名:OVTA
IUPAC:(2S)-5-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-[(2S)-butan-2-yl]-13-(carbamoylmethyl)-16-[(1R)-1-hydroxyethyl]-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]pentanamide
IUPAC:(2S)-5-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-[(2S)-butan-2-yl]-13-(carbamoylmethyl)-16-[(1R)-1-hydroxyethyl]-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]pentanamide
InChI key:XNFZULVFMCTJAC-YKVWRKJBSA-N

分子式:C54H79N11O13S2
分子量:1154.41
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)[C@@H](C)O

Ota-vasotocin is a ligand utilized in quantitative receptor autoradiography for oxytocin receptors.

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