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Substance Name: Glycinamide, N(sup 2),N(sup 6)-bis((1,1-dimethylethoxy)carbonyl)-D-lysyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-
RN: 68427-00-9
InChIKey: FWJNICHBGOEIEC-WISKXVKBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H73-Cl2-N9-O10

Molecular Weight

  • 983.0417
 
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Names and Synonyms

  • Glycinamide, N(sup 2),N(sup 6)-bis((1,1-dimethylethoxy)carbonyl)-D-lysyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Registry Numbers

CAS Registry Number

  • 68427-00-9

System Generated Number

  • 0068427009

Structure Descriptors

InChI

1S/C46H73Cl2N9O10/c1-30(2)27-34(52-40(61)36-15-12-24-57(36)42(63)33(53-44(65)67-46(6,7)8)13-9-10-22-49-43(64)66-45(3,4)5)39(60)51-29-38(59)56-23-11-14-35(56)41(62)54-37(58)28-50-31-16-18-32(19-17-31)55(25-20-47)26-21-48/h16-19,30,33-36,50H,9-15,20-29H2,1-8H3,(H,49,64)(H,51,60)(H,52,61)(H,53,65)(H,54,58,62)/t33-,34+,35+,36+/m1/s1

InChIKey

FWJNICHBGOEIEC-WISKXVKBSA-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](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 98mg/kg (98mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.