Name: Verticillin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318782
Cas No:889640-30-6
常用名:Verticillin A
IUPAC:(1S,2S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0^{1,12}.0^{3,11}.0^{4,9}]octadeca-4(9),5,7-trien-3-yl]-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0^{1,12}.0^{3,11}.0^{4,9}]octadeca-4(9),5,7-triene-13,17-dione
IUPAC:(1S,2S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0^{1,12}.0^{3,11}.0^{4,9}]octadeca-4(9),5,7-trien-3-yl]-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0^{1,12}.0^{3,11}.0^{4,9}]octadeca-4(9),5,7-triene-13,17-dione
InChI key:IMGTYEJTVRXGLW-LTEJGUQOSA-N

分子式:C30H28N6O6S4
分子量:696.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12Nc3ccccc3C1([C@H](O)[C@]13SS[C@](C)(N(C)C1=O)C(=O)N23)[C@]12[C@H](O)[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@@]1([H])Nc1ccccc21
SMILES:[H][C@]12Nc3ccccc3C1([C@H](O)[C@]13SS[C@](C)(N(C)C1=O)C(=O)N23)[C@]12[C@H](O)[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@@]1([H])Nc1ccccc21

Verticillin A, an apoptosis inducer, inhibits Leiomyosarcoma and Malignant peripheral nerve sheath tumor growth.

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