Name: Janthinocin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317552
Cas No:131086-53-8
常用名:Janthinocin B
IUPAC:2-amino-N-[6-(3-aminopropyl)-3-benzyl-15-ethylidene-9-[hydroxy(1H-indol-3-yl)methylidene]-18-(1-hydroxy-2-methylpropyl)-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-3-methylpentanamide
IUPAC:2-amino-N-[6-(3-aminopropyl)-3-benzyl-15-ethylidene-9-[hydroxy(1H-indol-3-yl)methylidene]-18-(1-hydroxy-2-methylpropyl)-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-3-methylpentanamide
InChI key:MDODWZNDNCDVHR-UHFFFAOYSA-N

分子式:C57H82N12O16
分子量:1191.351
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(N)C(=O)NC1C(OC(=O)C(Cc2ccccc2)NC(=O)C(CCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC1=O)C(C)O)C(O)C(C)C)=CC)=C(O)c1c[nH]c2ccccc12)C(C)C |w:69.71,71.73|
SMILES:CCC(C)C(N)C(=O)NC1C(OC(=O)C(Cc2ccccc2)NC(=O)C(CCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC1=O)C(C)O)C(O)C(C)C)=CC)=C(O)c1c[nH]c2ccccc12)C(C)C |w:69.71,71.73|

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