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Substance Name: L-Valinamide, 1-(((2-chloroethyl)nitrosoamino)carbonyl)-L-prolyl-N(sup 6)-(((2-chloroethyl)nitrosoamino)carbonyl)-L-lysyl-L-prolyl-
RN: 106039-77-4
InChIKey: YBBLEWUHKKZPCQ-TUFLPTIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-Cl2-N10-O8

Molecular Weight

  • 707.6126
 
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Names and Synonyms

Synonym

  • BRN 6263472

Systematic Name

  • L-Valinamide, 1-(((2-chloroethyl)nitrosoamino)carbonyl)-L-prolyl-N(sup 6)-(((2-chloroethyl)nitrosoamino)carbonyl)-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 106039-77-4

System Generated Number

  • 0106039774

Structure Descriptors

InChI

1S/C27H44Cl2N10O8/c1-17(2)21(24(42)33-23(41)20-9-6-14-37(20)27(45)39(35-47)16-11-29)32-22(40)19-8-5-13-36(19)25(43)18(30)7-3-4-12-31-26(44)38(34-46)15-10-28/h17-21H,3-16,30H2,1-2H3,(H,31,44)(H,32,40)(H,33,41,42)/t18-,19-,20-,21-/m0/s1

InChIKey

YBBLEWUHKKZPCQ-TUFLPTIASA-N

Smiles

CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)N(CCCl)N=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 583, 1987.