Name: Empedopeptin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599950
Cas No:87551-98-2
常用名:Empedopeptin
IUPAC:2-[31-(3-carbamimidamidopropyl)-16-[carboxy(hydroxy)methyl]-20-hydroxy-3,25-bis(hydroxymethyl)-2,5,11,15,18,24,27,30,33-nonaoxo-13-undecyl-14-oxa-1,4,10,17,23,26,29,32-octaazatetracyclo[32.3.0.0^{6,10}.0^{19,23}]heptatriacontan-28-yl]-2-hydroxyacetic acid
IUPAC:2-[31-(3-carbamimidamidopropyl)-16-[carboxy(hydroxy)methyl]-20-hydroxy-3,25-bis(hydroxymethyl)-2,5,11,15,18,24,27,30,33-nonaoxo-13-undecyl-14-oxa-1,4,10,17,23,26,29,32-octaazatetracyclo[32.3.0.0^{6,10}.0^{19,23}]heptatriacontan-28-yl]-2-hydroxyacetic acid
InChI key:WSCOCOSDPASNLN-UHFFFAOYSA-N

分子式:C49H79N11O19
分子量:1126.229
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCC1CC(=O)N2CCCC2C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCNC(N)=N)C(=O)NC(C(O)C(O)=O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(O)=O)C(=O)O1
SMILES:CCCCCCCCCCCC1CC(=O)N2CCCC2C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCNC(N)=N)C(=O)NC(C(O)C(O)=O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(O)=O)C(=O)O1

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