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Substance Name: H 261
RN: 91464-97-0
InChIKey: UGJSFMSTPAPJJO-FWHCSXHRSA-N

Note

  • (OH) denotes a hydroxyethylene (-(S)CHOH-CH2-) transition-state isostere in the scissile bond surrogate.

Molecular Formula

  • C50-H73-N13-O9

Molecular Weight

  • 1000.21
 
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Names and Synonyms

Name of Substance

  • H 261

Synonyms

  • H 261 Oligopeptide
  • H-261
  • H-261 Oligopeptide
  • his-pro-phe-his-leu(OH)-val-ile-his

Systematic Names

  • L-Histidine, L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(1-methylethyl)octanoyl-L-isoleucyl-
  • L-Histidine, N-(N-(5-((N-(N-(1-L-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-4-hydroxy-7-methyl-2-(1-methylethyl)-1-oxooctyl)-L-isoleucyl)-, (2S-(2R*,4R*,5R*))-

Registry Numbers

CAS Registry Number

  • 91464-97-0

System Generated Number

  • 0091464970

Structure Descriptors

InChI

1S/C50H73N13O9/c1-7-30(6)43(48(69)61-40(50(71)72)20-34-24-54-27-57-34)62-44(65)35(29(4)5)21-42(64)37(16-28(2)3)58-46(67)39(19-33-23-53-26-56-33)59-45(66)38(17-31-12-9-8-10-13-31)60-47(68)41-14-11-15-63(41)49(70)36(51)18-32-22-52-25-55-32/h8-10,12-13,22-30,35-43,64H,7,11,14-21,51H2,1-6H3,(H,52,55)(H,53,56)(H,54,57)(H,58,67)(H,59,66)(H,60,68)(H,61,69)(H,62,65)(H,71,72)/t30-,35-,36-,37-,38-,39-,40-,41-,42-,43+/m0/s1

InChIKey

UGJSFMSTPAPJJO-FWHCSXHRSA-N

Smiles

N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H]([C@H](C[C@H](C(N[C@@H](C(N[C@H](C(=O)O)Cc1cnc[nH]1)=O)[C@@H](C)CC)=O)C(C)C)O)CC(C)C)=O)Cc1cnc[nH]1)=O)Cc1ccccc1)=O)=O)Cc1cnc[nH]1