Janthinocin B
HIT214317552
sdf文件结构编辑类似物检索
HIT ID: HIT214317552
Cas No: 131086-53-8
分子式: C57H82N12O16
分子量: 1191.351
常用名: Janthinocin B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: MDODWZNDNCDVHR-UHFFFAOYSA-N
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