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Substance Name: P 9941
RN: 140196-60-7
InChIKey: HEOWWBCUIPWUDM-ATPZOFGISA-N

Molecular Formula

  • C44-H56-N6-O6

Molecular Weight

  • 764.9624
 
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Names and Synonyms

Name of Substance

  • P 9941

Synonyms

  • Bis(2-PyAc-Ile-Phe-psi-(CHOH))
  • P9941

Systematic Name

  • (2S,3R,4R,5S)-N,N'-Bis((2-pyridylacetyl)-L-isoleucinyl)-2,5-diamino-1,6-diphenylhexane-3,4-diol

Registry Numbers

CAS Registry Number

  • 140196-60-7

System Generated Number

  • 0140196607

Structure Descriptors

InChI

1S/C44H56N6O6/c1-5-29(3)39(49-37(51)27-33-21-13-15-23-45-33)43(55)47-35(25-31-17-9-7-10-18-31)41(53)42(54)36(26-32-19-11-8-12-20-32)48-44(56)40(30(4)6-2)50-38(52)28-34-22-14-16-24-46-34/h7-24,29-30,35-36,39-42,53-54H,5-6,25-28H2,1-4H3,(H,47,55)(H,48,56)(H,49,51)(H,50,52)/t29-,30-,35-,36-,39-,40-,41+,42+/m0/s1

InChIKey

HEOWWBCUIPWUDM-ATPZOFGISA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc3ccccn3)O)O)NC(=O)Cc4ccccn4