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Substance Name: Glycinamide, N-((1,1-dimethylethoxy)carbonyl)-D-alanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-
RN: 68426-99-3
InChIKey: IAANBNBIHDFTCO-NYMHPOLGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H58-Cl2-N8-O8

Molecular Weight

  • 825.8302
 
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Names and Synonyms

  • Glycinamide, N-((1,1-dimethylethoxy)carbonyl)-D-alanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Registry Numbers

CAS Registry Number

  • 68426-99-3

System Generated Number

  • 0068426993

Structure Descriptors

InChI

1S/C38H58Cl2N8O8/c1-24(2)21-28(44-34(52)30-10-8-18-48(30)36(54)25(3)43-37(55)56-38(4,5)6)33(51)42-23-32(50)47-17-7-9-29(47)35(53)45-31(49)22-41-26-11-13-27(14-12-26)46(19-15-39)20-16-40/h11-14,24-25,28-30,41H,7-10,15-23H2,1-6H3,(H,42,51)(H,43,55)(H,44,52)(H,45,49,53)/t25-,28+,29+,30+/m1/s1

InChIKey

IAANBNBIHDFTCO-NYMHPOLGSA-N

Smiles

C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC(=O)CNc3ccc(cc3)N(CCCl)CCCl)NC(=O)OC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 78mg/kg (78mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.