Name: 17-GMB-APA-GA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323577
Cas No:256337-10-7
常用名:17-GMB-APA-GA
IUPAC:(4Z,6E,8S,9S,10E,12S,13R,14S,16R)-19-({3-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]propyl}amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
IUPAC:(4Z,6E,8S,9S,10E,12S,13R,14S,16R)-19-({3-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]propyl}amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
InChI key:OPWAYYOLUIAKCJ-RMRMQLFFSA-N

分子式:C39H53N5O11
分子量:767.877
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@H]1C[C@H](C)CC2=C(NCCCNC(=O)CCCN3C(=O)C=CC3=O)C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,22,35,t:29,37,48|
SMILES:CO[C@H]1C[C@H](C)CC2=C(NCCCNC(=O)CCCN3C(=O)C=CC3=O)C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |c:7,22,35,t:29,37,48|

17-GMB-APA-GA, a potent HSP90 inhibitor, is an ADC cytotoxin commonly employed for studying latent T. gondii infection.

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