Name: Enduracidin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323777
Cas No:34438-27-2
常用名:Enduracidin A
IUPAC:(3S)-3-{[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49R)-9,24-bis({[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]methyl})-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3,5-dichloro-4-hydroxyphenyl)-39-[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-3,21,33,36,45-pentakis(4-hydroxyphenyl)-6,49-dimethyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]carbamoyl}-3-[(2Z,4E)-10-methylundeca-2,4-dienamido]propanoic acid
IUPAC:(3S)-3-{[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49R)-9,24-bis({[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]methyl})-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3,5-dichloro-4-hydroxyphenyl)-39-[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-3,21,33,36,45-pentakis(4-hydroxyphenyl)-6,49-dimethyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]carbamoyl}-3-[(2Z,4E)-10-methylundeca-2,4-dienamido]propanoic acid
InChI key:IPZGNBNNEDCXBK-SWEPSTQMSA-N

分子式:C107H138Cl2N26O31
分子量:2355.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@]([H])(NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)\C=C/C=C/CCCCC(C)C)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]2CN=C(N)N2)NC(=O)[C@H](CCCNC(N)=O)NC1=O)c1ccc(O)cc1)c1cc(Cl)c(O)c(Cl)c1)c1ccc(O)cc1)c1ccc(O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)cc1)[C@H](C)O |t:71,101|
SMILES:[H][C@]1(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@]([H])(NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)\C=C/C=C/CCCCC(C)C)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]2CN=C(N)N2)NC(=O)[C@H](CCCNC(N)=O)NC1=O)c1ccc(O)cc1)c1cc(Cl)c(O)c(Cl)c1)c1ccc(O)cc1)c1ccc(O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)cc1)[C@H](C)O |t:71,101|

Enduracidin A, a primary constituent of the antibiotic compound Enduracidin, is a polypeptide antibiotic manufactured by Streptomyces fungicides.

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