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Substance Name: Sulfomycin III
RN: 102489-41-8
InChIKey: KTTCPCJHFLBGGO-XEEHAJQZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C53-H50-N16-O16-S2

Molecular Weight

  • 1231.206
 
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Names and Synonyms

Synonym

  • Sulfomycin III

Systematic Names

  • Alaninamide, L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4- oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-(2-(1-aminoethenyl)-4-oxazolyl)-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-, (6-1)-lactam
  • Sulfomycin III

Registry Numbers

CAS Registry Number

  • 102489-41-8

System Generated Number

  • 0102489418

Structure Descriptors

InChI

1S/C53H50N16O16S2/c1-11-28-49-67-35(25(8)84-49)46(80)58-22(5)41(75)59-23(6)48-63-31(16-83-48)37-27(12-13-29(60-37)42(76)57-21(4)40(74)56-20(3)39(73)55-19(2)38(54)72)52-64-33(17-86-52)44(78)66-34(24(7)71)45(79)62-30(14-15-70)50-68-36(26(9)85-50)47(81)69-51(82-10)53-65-32(18-87-53)43(77)61-28/h11-14,16-18,24,34,51,70-71H,2-6,15H2,1,7-10H3,(H2,54,72)(H,55,73)(H,56,74)(H,57,76)(H,58,80)(H,59,75)(H,61,77)(H,62,79)(H,66,78)(H,69,81)/b28-11-,30-14-/t24-,34?,51?/m1/s1

InChIKey

KTTCPCJHFLBGGO-XEEHAJQZSA-N

Smiles

C/C=C\1/c2nc(c(o2)C)C(=O)NC(=C)C(=O)NC(=C)c3nc(co3)-c4c(ccc(n4)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)-c5nc(cs5)C(=O)NC(C(=O)N/C(=C\CO)/c6nc(c(o6)C)C(=O)NC(c7nc(cs7)C(=O)N1)OC)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 428, 1980.