Name: Neuroprotectin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219618777
Cas No:354986-38-2
常用名:Neuroprotectin B
IUPAC:2-{[20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-15,37-dihydroxy-28-methyl-14,18,21,24,27-pentaoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.1^{3,7}.1^{8,12}.0^{5,23}.0^{11,15}]heptatriaconta-1(33),3(37),4,6,8,10,12(36),31,34-nonaen-29-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
IUPAC:2-{[20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-15,37-dihydroxy-28-methyl-14,18,21,24,27-pentaoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.1^{3,7}.1^{8,12}.0^{5,23}.0^{11,15}]heptatriaconta-1(33),3(37),4,6,8,10,12(36),31,34-nonaen-29-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
InChI key:InChIKey=NGSUYOQYYVLKJJ-UHFFFAOYSA-N

分子式:C61H45Cl6N7O17
分子量:1360.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1C(Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(NC(=O)C5(O)CC(NC(=O)C(=O)c5cc(Cl)c(O)c(Cl)c5)C(=O)NC(c5cc(Cl)c(O)c(Cl)c5)C(=O)NC4C(=O)NC(c4cc(Cl)c(O)c(Cl)c4)C1=O)c3)cc2)C(=O)NC(C(O)=O)c1ccc(O)cc1
SMILES:CN1C(Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(NC(=O)C5(O)CC(NC(=O)C(=O)c5cc(Cl)c(O)c(Cl)c5)C(=O)NC(c5cc(Cl)c(O)c(Cl)c5)C(=O)NC4C(=O)NC(c4cc(Cl)c(O)c(Cl)c4)C1=O)c3)cc2)C(=O)NC(C(O)=O)c1ccc(O)cc1

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