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Substance Name: Enduracidin SA
RN: 40958-06-3
InChIKey: ZQBVARBPHCGFNU-KWKAUDIHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C107-H139-Cl-N26-O31

Molecular Weight

  • 2320.8791
 
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Names and Synonyms

Results Name

  • Enduracidin SA

Synonyms

  • Dechloroenduracidin
  • Dechloroenduracidin-A
  • Enduracidin SA

Systematic Name

  • Enduracidin A, 13-(L-2-(3-chloro-4-hydroxyphenyl)glycine)-

Registry Numbers

CAS Registry Number

  • 40958-06-3

System Generated Number

  • 0040958063

Structure Descriptors

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

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)c2ccc(cc2)O)C)CC3CNC(=N3)N)c4ccc(c(c4)Cl)O)CO)c5ccc(cc5)O)CC6CNC(=N6)N)CCCNC(=O)N)C(C)O)c7ccc(cc7)O)c8ccc(cc8)O)C(C)O)CCCN)c9ccc(cc9)O)NC(=O)C(CC(=O)O)NC(=O)/C=C/C=C/CCCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 2500mg/kg (2500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(2), Pg. 111, 1980.
mouse LD50 intravenous 30mg/kg (30mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(2), Pg. 111, 1980.