Name: EC1454
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670683
Cas No:1602487-15-9
常用名:EC1454
IUPAC:(2R)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-{[(1S)-1-{[(1R)-3-carboxy-1-{[(1S)-1-{[(1R)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}butanoic acid
IUPAC:(2R)-2-[(4-{[(2-amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-{[(1S)-1-{[(1R)-3-carboxy-1-{[(1S)-1-{[(1R)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-3-{[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl}propyl]carbamoyl}butanoic acid
InChI key:MFUGDMCMTPUQPX-YMGHULRBSA-N

分子式:C65H98N16O34S
分子量:1679.64
氢键供体数 (HBD):33
氢键受体数 (HBA):40
LogP:-17.576952
SMILES:Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CS)C(O)=O)C(O)=O)nc2c(=O)n1
SMILES:Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CS)C(O)=O)C(O)=O)nc2c(=O)n1

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~