Enduracidin A; Mono(dechloro)

AlkaPlorer ID: AK297439

Synonym: Enduracidin SA 

IUPAC Name: None

Structure

SMILES: CC(C)CCCC/C=C/C=C\C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C2=CC=C(O)C=C2)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(C2=CC=C(O)C=C2)C(=O)NC(C2=CC=C(O)C=C2)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC2CNC(=N)N2)C(=O)NC(C2=CC=C(O)C=C2)C(=O)NC(CO)C(=O)NC(C2=CC=C(O)C(Cl)=C2)C(=O)NCC(=O)NC(CC2CNC(=N)N2)C(=O)NC(C)C(=O)NC(C2=CC=C(O)C=C2)C(=O)OC1C

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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-

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InChIKey: ZQBVARBPHCGFNU-BLPDYOKRSA-N

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Reference

CAS: 40958-06-3

Properties Information

Molecule Weight: 2320.892999999998

TPSA: 917.33

MolLogP: -4.5348599999999895

Number of H-Donors: 36

Number of H-Acceptors: 33

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information