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Substance Name: L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-
RN: 106039-84-3
InChIKey: ILDQFGBFCPVRIF-JYJNAYRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H34-Cl-N7-O6

Molecular Weight

  • 503.9846
 
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Names and Synonyms

Synonyms

  • BRN 6256149
  • N(sup 2)-(((2-Chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-L-valinamide

Systematic Name

  • L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 106039-84-3

System Generated Number

  • 0106039843

Structure Descriptors

InChI

1S/C20H34ClN7O6/c1-13(2)16(17(22)30)25-18(31)15-7-5-10-27(15)19(32)14(6-3-4-9-23-12-29)24-20(33)28(26-34)11-8-21/h12-16H,3-11H2,1-2H3,(H2,22,30)(H,23,29)(H,24,33)(H,25,31)/t14-,15-,16-/m0/s1

InChIKey

ILDQFGBFCPVRIF-JYJNAYRXSA-N

Smiles

CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC=O)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 583, 1987.