Name: Enduracidin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323774
Cas No:34304-21-7
常用名:Enduracidin B
IUPAC:3-({9,24-bis[(2-amino-4,5-dihydro-1H-imidazol-5-yl)methyl]-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3,5-dichloro-4-hydroxyphenyl)-30,39-bis(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-(10-methyldodeca-2,4-dienamido)propanoic acid
IUPAC:3-({9,24-bis[(2-amino-4,5-dihydro-1H-imidazol-5-yl)methyl]-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3,5-dichloro-4-hydroxyphenyl)-30,39-bis(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-(10-methyldodeca-2,4-dienamido)propanoic acid
InChI key:JPYWPHBUMZRLPO-UHFFFAOYSA-N

分子式:C108H140Cl2N26O31
分子量:2369.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)CCCCC=CC=CC(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(C)NC(=O)C(CC2CN=C(N)N2)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC2CN=C(N)N2)NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C(NC1=O)c1ccc(O)cc1)C(C)O)c1ccc(O)cc1)c1ccc(O)cc1)C(C)O)c1ccc(O)cc1)c1cc(Cl)c(O)c(Cl)c1)c1ccc(O)cc1 |w:11.11,9.9,t:42,72|
SMILES:CCC(C)CCCCC=CC=CC(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(C)NC(=O)C(CC2CN=C(N)N2)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC2CN=C(N)N2)NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C(NC1=O)c1ccc(O)cc1)C(C)O)c1ccc(O)cc1)c1ccc(O)cc1)C(C)O)c1ccc(O)cc1)c1cc(Cl)c(O)c(Cl)c1)c1ccc(O)cc1 |w:11.11,9.9,t:42,72|

Enduracidin B, a polypeptide antibiotic, is a prominent constituent of Enduracidin. This antibiotic is synthesized by Streptomyces fungicides.

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