Enduracidin sa

Structural Information

Molecular Formula

C₁₀₇H₁₃₉ClN₂₆O₃₁

SMILES

CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC=C(C=C2)O)C)CC3CNC(=N3)N)C4=CC(=C(C=C4)O)Cl)CO)C5=CC=C(C=C5)O)CC6CNC(=N6)N)CCCNC(=O)N)C(C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)C(CC(=O)O)NC(=O)/C=C/C=C/CCCCC(C)C

InChI

InChI=1S/C107H139ClN26O31/c1-51(2)15-11-9-7-8-10-12-18-77(144)120-74(46-79(146)147)94(153)128-82-55(6)165-104(163)88(60-27-38-68(142)39-28-60)134-89(148)52(3)117-92(151)72(44-62-47-115-105(110)118-62)121-78(145)49-114-96(155)87(61-29-40-76(143)69(108)43-61)130-95(154)75(50-135)125-101(160)83(56-19-30-64(138)31-20-56)129-93(152)73(45-63-48-116-106(111)119-63)124-90(149)71(17-14-42-113-107(112)164)122-97(156)80(53(4)136)127-102(161)85(58-23-34-66(140)35-24-58)133-103(162)86(59-25-36-67(141)37-26-59)131-98(157)81(54(5)137)126-91(150)70(16-13-41-109)123-100(159)84(132-99(82)158)57-21-32-65(139)33-22-57/h8,10,12,18-40,43,51-55,62-63,70-75,80-88,135-143H,7,9,11,13-17,41-42,44-50,109H2,1-6H3,(H,114,155)(H,117,151)(H,120,144)(H,121,145)(H,122,156)(H,123,159)(H,124,149)(H,125,160)(H,126,150)(H,127,161)(H,128,153)(H,129,152)(H,130,154)(H,131,157)(H,132,158)(H,133,162)(H,134,148)(H,146,147)(H3,110,115,118)(H3,111,116,119)(H3,112,113,164)/b10-8+,18-12+

InChIKey

ZQBVARBPHCGFNU-KWKAUDIHSA-N

Compound name

4-[[9,24-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3-chloro-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-pentadecazacyclononatetracont-48-yl]amino]-3-[[(2E,4E)-10-methylundeca-2,4-dienoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16132301