Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-alpha-Benzoyl-(epsilon-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))lysyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide
RN: 157610-41-8
InChIKey: QPHVEJJSCPWZEE-DCOIRBKVSA-N

Note

  • A fluorescent NK2 antagonist.

Molecular Weight

  • 1124.26
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • N-alpha-Benzoyl-(epsilon-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))lysyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide

Synonyms

  • Bz-K(Nbd)-awfpp-nle-NH2
  • Bz-Lys(nbd)-ala-trp-phe-pro-pro-nle-NH2
  • Nalpha-Benzoyl-lys(epsilon-nbd)-ala-D-trp-phe-D-pro-pro-nle-NH2

Registry Numbers

CAS Registry Number

  • 157610-41-8

System Generated Number

  • 0157610418

Structure Descriptors

InChI

1S/C58H69N13O11/c1-3-4-22-42(51(59)72)63-56(77)47-25-15-30-69(47)58(79)48-26-16-31-70(48)57(78)45(32-36-17-7-5-8-18-36)66-55(76)44(33-38-34-61-40-23-12-11-21-39(38)40)65-52(73)35(2)62-54(75)43(64-53(74)37-19-9-6-10-20-37)24-13-14-29-60-41-27-28-46(71(80)81)50-49(41)67-82-68-50/h5-12,17-21,23,27-28,34-35,42-45,47-48,60-61H,3-4,13-16,22,24-26,29-33H2,1-2H3,(H2,59,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t35-,42-,43-,44+,45-,47-,48+/m0/s1

InChIKey

QPHVEJJSCPWZEE-DCOIRBKVSA-N

Smiles

C([C@@H](NC([C@H]1N(CCC1)C([C@@H]1N(CCC1)C([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC(c1ccccc1)=O)CCCCNc1ccc(c2c1non2)[N+](=O)[O-])=O)C)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccccc1)=O)=O)=O)CCCC)(=O)N