Name: Kocurin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321976
Cas No:1374772-61-8
常用名:Kocurin
IUPAC:2-{[(2S)-1-[(2S)-2-[2-({2-[(6S,12S,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]propanoyl]pyrrolidin-2-yl]formamido}-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide
IUPAC:2-{[(2S)-1-[(2S)-2-[2-({2-[(6S,12S,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]propanoyl]pyrrolidin-2-yl]formamido}-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide
InChI key:WWWYMYPACSXBTM-GVYUJTEBSA-N

分子式:C69H66N18O13S5
分子量:1515.7
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CSC(=N1)[C@H](Cc1ccccc1)NC(=O)c1csc(n1)[C@H](CC(N)=O)NC(=O)c1nc(oc1C)-c1ccc(nc1-c1csc(n1)-c1csc(n1)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC2=O)-c1nc(cs1)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=C)C(=O)NC(=C)C(N)=O |c:4|
SMILES:[H][C@@]12CSC(=N1)[C@H](Cc1ccccc1)NC(=O)c1csc(n1)[C@H](CC(N)=O)NC(=O)c1nc(oc1C)-c1ccc(nc1-c1csc(n1)-c1csc(n1)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC2=O)-c1nc(cs1)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=C)C(=O)NC(=C)C(N)=O |c:4|

Kocurin is a thiazolyl peptide originally isolated fromK. palustrisand has antibiotic activity.1It is active against methicillin-resistantS. aureus(MRSA; MIC = 0.25 μg/ml), as well asB. subtilisandE. faeciumin a solid agar test when used at a concentration of 8 μg/ml. Kocurin is also active againstE. faecium,E. faecalis,S. epidermidis, and clinical isolates of vancomycin-resistant enterococci (MICs = 0.004-1.025 μg/ml).2

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