Enduracidin（CAS号：11115-82-5）

恩拉霉素

基本信息

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CAS号

11115-82-5

分子式

C107H138N26O31Cl2

分子量

2355.3 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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ClC1C(=C(C=C(C=1)C1C(NC(NC(C(NC(C)C(NC(C2C=CC(=CC=2)O)C(=O)OC(C)C(C(NC(C2C=CC(=CC=2)O)C(N(C(NC(C(NC(C2C=CC(=CC=2)O)C(NC(C2C=CC(=CC=2)O)C(NC(C(C)O)C(NC(C(NC(C(NC(C(NC(CO)C(N1)=O)=O)C1C=CC(=CC=1)O)=O)CC1CNC(N)=N1)=O)CCCNC(N)=O)=O)=O)=O)=O)C(C)O)=O)CCCCN)=O)=O)NC(C(CC(=O)O)NC(/C=C/C=C/CCCCC(C)CC)=O)=O)=O)=O)CC1CNC(N)=N1)=O)=O)Cl)O

InChI

InChI=1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)/b11-9+,19-13+

InChIKey

QKXQEKZXVMLAMO-JDCCHMEXSA-N

LogP

-2.3800999999999974

拓扑极性表面积

913.5400000000005 Å²

氢键供体/受体

37 / 57

复杂度

5280

同义词与引用数据

英文

Enduracidin
Enradin
Enramycin
ENDURACIDIN HYDROCHLORIDE
BistheonellideA
ENRAMAYCIN
EnramycinHCl
EnraMycin PreMix
ENRAMYCUN PREMIX
Enramycin premixes
C107H138Cl2N26O31HCl
ENRAMYCIN HYDROCHLORIDE
4-[[41-(4-Aminobutyl)-9,23-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-26-[3-(carbamoylamino)p
(S)-4-(((3S,6R,9S,15S,18S,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49R)-9,24-bis(((R)-2-amino-4,5-dihydro-1H-imidazol-5-yl)methyl)-42-(3-aminopropyl)-15-(3,5-dichloro-4-hydroxyphenyl)-39-((R)-1-hydroxyethyl)-30-((S)-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-27-(3-ureidopropyl)-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl)amino)-3-((2Z,4E)-10-methylundeca-2,4-dienamido)-4-oxobutanoic acid compound with (3S)-4-(((3S,6R,9S,15S,18S,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49R)-9,24-bis(((R)-2-amino-4,5-dihydro-1H-imidazol-5-yl)methyl)-42-(3-aminopropyl)-15-(3,5-dichloro-4-hydroxyphenyl)-39-((R)-1-hydroxyethyl)-30-((S)-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-27-(3-ureidopropyl)-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl)amino)-3-((2Z,4E)-10-methyldodeca-2,4-dienamido)-4-oxobutanoic acid