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Substance Name: Glycinamide, N-((1,1-dimethoxy)carbonyl)-D-phenylalanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-
RN: 68427-01-0
InChIKey: MEOQDYBINBDIJG-WLPVSNDTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H62-Cl2-N8-O8

Molecular Weight

  • 901.9278
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68427-01-0

System Generated Number

  • 0068427010

Structure Descriptors

InChI

1S/C44H62Cl2N8O8/c1-29(2)25-33(49-40(58)36-14-10-22-54(36)42(60)34(26-30-11-7-6-8-12-30)50-43(61)62-44(3,4)5)39(57)48-28-38(56)53-21-9-13-35(53)41(59)51-37(55)27-47-31-15-17-32(18-16-31)52(23-19-45)24-20-46/h6-8,11-12,15-18,29,33-36,47H,9-10,13-14,19-28H2,1-5H3,(H,48,57)(H,49,58)(H,50,61)(H,51,55,59)/t33-,34+,35-,36-/m0/s1

InChIKey

MEOQDYBINBDIJG-WLPVSNDTSA-N

Smiles

CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)CNc2ccc(cc2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)OC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.