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Substance Name: Myroridin KA (9CI)
RN: 74899-62-0
InChIKey: WBVFBXZGHGWBRE-RZOMMOEVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H74-N16-O11

Molecular Weight

  • 967.1366
 
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Names and Synonyms

Synonyms

  • Antibiotic K 582A
  • Antibiotic K582M-A
  • K582M-A

Systematic Names

  • D-Tyrosine, N-(N(2)-(N(2)-(N-(N(2)-(N(2)-L-arginyl-threo-4-hydroxy-L-arginyl)-D-ornithyl)-L-threonyl)-D-ornithyl)-L-lysyl)-
  • Myroridin KA (9CI)

Registry Numbers

CAS Registry Number

  • 74899-62-0

Other Registry Number

  • 71478-27-8

System Generated Number

  • 0074899620

Structure Descriptors

InChI

1S/C41H74N16O11/c1-22(58)32(57-36(64)29(10-5-17-44)53-37(65)30(20-25(60)21-51-41(48)49)55-33(61)26(45)7-6-18-50-40(46)47)38(66)54-28(9-4-16-43)34(62)52-27(8-2-3-15-42)35(63)56-31(39(67)68)19-23-11-13-24(59)14-12-23/h11-14,22,25-32,58-60H,2-10,15-21,42-45H2,1H3,(H,52,62)(H,53,65)(H,54,66)(H,55,61)(H,56,63)(H,57,64)(H,67,68)(H4,46,47,50)(H4,48,49,51)/t22-,25+,26+,27+,28-,29-,30+,31-,32+/m1/s1

InChIKey

WBVFBXZGHGWBRE-RZOMMOEVSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](C[C@@H](CNC(=N)N)O)NC(=O)[C@H](CCCNC(=N)N)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 533, 1980.
mouse LD50 intravenous 120mg/kg (120mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #80-47697,
mouse LD50 oral > 6gm/kg (6000mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 533, 1980.
mouse LD50 subcutaneous 320mg/kg (320mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 533, 1980.