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Substance Name: L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((N-glycyl-L-histidyl)amino)-2-(1-methylethyl)-N-(2-methyl-1-((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-
RN: 134458-78-9
InChIKey: UBSOHDSAEHUAAU-IMCABRTFSA-N

Molecular Formula

  • C35-H56-N8-O6

Molecular Weight

  • 684.8774
 
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Names and Synonyms

Synonym

  • Gly-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp

Systematic Name

  • L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((N-glycyl-L-histidyl)amino)-2-(1-methylethyl)-N-(2-methyl-1-((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 134458-78-9

System Generated Number

  • 0134458789

Structure Descriptors

InChI

1S/C35H56N8O6/c1-5-22(4)30(35(49)39-19-24-13-9-10-14-38-24)43-34(48)29(21(2)3)32(46)31(45)26(15-23-11-7-6-8-12-23)42-33(47)27(41-28(44)17-36)16-25-18-37-20-40-25/h9-10,13-14,18,20-23,26-27,29-32,45-46H,5-8,11-12,15-17,19,36H2,1-4H3,(H,37,40)(H,39,49)(H,41,44)(H,42,47)(H,43,48)/t22-,26-,27-,29+,30-,31+,32+/m0/s1

InChIKey

UBSOHDSAEHUAAU-IMCABRTFSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)CN)O)O)C(C)C