Name: Cyclothiazomycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599883
Cas No:133352-26-8
常用名:Cyclothiazomycin
IUPAC:(12R,27R,30R,33S,36S,42Z,48S,51R,55S,59R,62Z)-55-(carbamoylmethyl)-42,62-diethylidene-36-[(1R)-1-hydroxyethyl]-33,51-dimethyl-15-methylidene-13,28,34,37,40,43,49,53,60,63-decaoxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecaazadecacyclo[31.19.12.1^{4,52}.1^{5,8}.1^{9,12}.1^{16,19}.1^{20,23}.1^{24,27}.1^{56,59}.0^{44,48}]henheptaconta-1,3,5(71),7,9(70),16(69),18,20(68),22,24(67),52(66),56(65)-dodecaene-30-carboxylic acid
IUPAC:(12R,27R,30R,33S,36S,42Z,48S,51R,55S,59R,62Z)-55-(carbamoylmethyl)-42,62-diethylidene-36-[(1R)-1-hydroxyethyl]-33,51-dimethyl-15-methylidene-13,28,34,37,40,43,49,53,60,63-decaoxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecaazadecacyclo[31.19.12.1^{4,52}.1^{5,8}.1^{9,12}.1^{16,19}.1^{20,23}.1^{24,27}.1^{56,59}.0^{44,48}]henheptaconta-1,3,5(71),7,9(70),16(69),18,20(68),22,24(67),52(66),56(65)-dodecaene-30-carboxylic acid
InChI key:OGUUCNCVZHZWGA-SKEOMMRSSA-N

分子式:C59H64N18O14S7
分子量:1473.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CSC(=N1)[C@H](CC(N)=O)NC(=O)c1ccc-3nc1[C@@H](C)NC(=O)[C@]1([H])CCCN1C(=O)\C(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@](C)(NC(=O)\C(NC2=O)=C\C)SC[C@H](NC(=O)[C@]1([H])CSC(=N1)c1csc(n1)-c1csc(n1)C(=C)NC(=O)[C@]1([H])CSC(=N1)c1csc-3n1)C(O)=O)[C@@H](C)O)=C\C
SMILES:[H][C@@]12CSC(=N1)[C@H](CC(N)=O)NC(=O)c1ccc-3nc1[C@@H](C)NC(=O)[C@]1([H])CCCN1C(=O)\C(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@](C)(NC(=O)\C(NC2=O)=C\C)SC[C@H](NC(=O)[C@]1([H])CSC(=N1)c1csc(n1)-c1csc(n1)C(=C)NC(=O)[C@]1([H])CSC(=N1)c1csc-3n1)C(O)=O)[C@@H](C)O)=C\C

Cyclothiazomycin 选择性抑制肾素活性，不影响胃蛋白酶、天冬氨酸、丝氨酸、硫醇蛋白酶以及金属蛋白酶的活性。此外，Cyclothiazomycin 表现出相对较弱的抗真菌活性。

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