Name: Himastatin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850875
Cas No:126775-74-4
常用名:Himastatin
IUPAC:(1S,7S,12R,14R,17S,20R,23S,31R)-28-[(1S,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-bis(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0^{9,14}.0^{23,31}.0^{25,30}]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-bis(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0^{9,14}.0^{23,31}.0^{25,30}]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone
IUPAC:(1S,7S,12R,14R,17S,20R,23S,31R)-28-[(1S,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-bis(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0^{9,14}.0^{23,31}.0^{25,30}]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-bis(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0^{9,14}.0^{23,31}.0^{25,30}]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone
InChI key:OZPNLJQULOIOGU-NGXWCUEOSA-N

分子式:C72H104N14O20
分子量:1485.702
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(O)c4cc(ccc4N[C@@]3([H])N1C(=O)[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@]1([H])C[C@@H](O)CNN1C(=O)[C@@H](OC(=O)C(NC2=O)C(C)C)C(C)C)[C@H](C)O)-c1ccc2N[C@@]3([H])N4C(=O)[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@]5([H])C[C@@H](O)CNN5C(=O)[C@@H](OC(=O)C(NC(=O)[C@]4([H])C[C@@]3(O)c2c1)C(C)C)C(C)C)[C@H](C)O
SMILES:[H][C@@]12C[C@@]3(O)c4cc(ccc4N[C@@]3([H])N1C(=O)[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@]1([H])C[C@@H](O)CNN1C(=O)[C@@H](OC(=O)C(NC2=O)C(C)C)C(C)C)[C@H](C)O)-c1ccc2N[C@@]3([H])N4C(=O)[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@]5([H])C[C@@H](O)CNN5C(=O)[C@@H](OC(=O)C(NC(=O)[C@]4([H])C[C@@]3(O)c2c1)C(C)C)C(C)C)[C@H](C)O

Himastatin 是一种具有抗肿瘤活性的抗生素，由S. hygroscopicus sp 菌株产生。Himastatin 是一种二聚环六肽，含有哌嗪酸和一个独特的芳香族中心。

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