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Substance Name: Ici 216140
RN: 124001-41-8
InChIKey: MMMVZBYIVKTYLE-QHOQUQLNSA-N

Note

  • Bombesin-gastrin releasing peptide antagonist.

Molecular Weight

  • 916.091
 
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Names and Synonyms

Name of Substance

  • Ici 216140

Synonyms

  • Ici-216140
  • m 216140
  • m-216140
  • m216140
  • N-Isobutyryl-his-trp-ala-val-ala-his-leu-nhme

Systematic Name

  • L-Leucinamide, N-(2-methyl-1-oxopropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-N-methyl-

Registry Numbers

CAS Registry Number

  • 124001-41-8

System Generated Number

  • 0124001418

Structure Descriptors

InChI

1S/C45H65N13O8/c1-23(2)14-33(46-9)41(62)58-44(65)36(17-30-20-48-22-51-30)55-39(60)26(7)53-45(66)37(24(3)4)57-40(61)27(8)52-42(63)34(15-28-18-49-32-13-11-10-12-31(28)32)56-43(64)35(54-38(59)25(5)6)16-29-19-47-21-50-29/h10-13,18-27,33-37,46,49H,14-17H2,1-9H3,(H,47,50)(H,48,51)(H,52,63)(H,53,66)(H,54,59)(H,55,60)(H,56,64)(H,57,61)(H,58,62,65)/t26-,27+,33+,34+,35+,36+,37+/m1/s1

InChIKey

MMMVZBYIVKTYLE-QHOQUQLNSA-N

Smiles

C([C@@H](NC)CC(C)C)(=O)NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(C(C)C)=O)Cc1c[nH]cn1)=O)Cc1c[nH]c2ccccc12)=O)C)=O)C(C)C)=O)C)=O)Cc1c[nH]cn1)=O