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Substance Name: Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide
RN: 133525-12-9
InChIKey: IHOJNXHPVYGHSL-DFXXCKAUSA-N

Molecular Formula

  • C37-H45-N5-O8

Molecular Weight

  • 687.789
 
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Names and Synonyms

Name of Substance

  • Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide

Synonyms

  • N-(3-Carboxy-1-oxopropyl)-L-isoleucyl-L-isoleucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-tryptophanamide
  • Suc-ile-ile-trp-mca
  • Succinyl-ile-ile-trp-methylcoumarinamide

Systematic Name

  • L-Tryptophanamide, N-(3-carboxy-1-oxopropyl)-L-isoleucyl-L-isoleucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-

Registry Numbers

CAS Registry Number

  • 133525-12-9

System Generated Number

  • 0133525129

Structure Descriptors

InChI

1S/C37H45N5O8/c1-6-20(3)33(40-30(43)14-15-31(44)45)36(48)41-34(21(4)7-2)37(49)42-35(47)28(17-23-19-38-27-11-9-8-10-26(23)27)39-24-12-13-25-22(5)16-32(46)50-29(25)18-24/h8-13,16,18-21,28,33-34,38-39H,6-7,14-15,17H2,1-5H3,(H,40,43)(H,41,48)(H,44,45)(H,42,47,49)/t20-,21-,28-,33-,34-/m0/s1

InChIKey

IHOJNXHPVYGHSL-DFXXCKAUSA-N

Smiles

C([C@@H](Nc1cc2c(c(cc(o2)=O)C)cc1)Cc1c[nH]c2ccccc12)(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O