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Substance Name: GR 70982
RN: 124646-43-1
InChIKey: CIGXEVSGKAVGFH-LEBFSMOPSA-N

Molecular Formula

  • C42-H62-N8-O6

Molecular Weight

  • 775.0018
 
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Names and Synonyms

Name of Substance

  • GR 70982

Synonyms

  • GR-70982
  • N-(5-((4-Aminobutyl)amino)-2-hydroxy-5-oxo-1-(cyclohexylmethyl)-4-(4-pyridinylmethyl)-1-pentyl)-N-((1,1-dimethylethoxy)carbonyl)phenylalanyl-L-histidinamide

Registry Numbers

CAS Registry Number

  • 124646-43-1

System Generated Number

  • 0124646431

Structure Descriptors

InChI

1S/C42H62N8O6/c1-42(2,3)56-41(55)49-35(24-30-14-8-5-9-15-30)39(53)50-40(54)36(26-33-27-45-28-47-33)48-34(23-29-12-6-4-7-13-29)37(51)25-32(22-31-16-20-44-21-17-31)38(52)46-19-11-10-18-43/h5,8-9,14-17,20-21,27-29,32,34-37,48,51H,4,6-7,10-13,18-19,22-26,43H2,1-3H3,(H,45,47)(H,46,52)(H,49,55)(H,50,53,54)/t32-,34+,35+,36+,37+/m1/s1

InChIKey

CIGXEVSGKAVGFH-LEBFSMOPSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@H](Cc2c[nH]cn2)N[C@@H](CC3CCCCC3)[C@H](C[C@@H](Cc4ccncc4)C(=O)NCCCCN)O