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Substance Name: N-alpha-Benzoyl-(delta-(7-nitrobenz-2-oxa-1,3-diazol-4-yl))ornithinyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide
RN: 157610-44-1
InChIKey: HYKCXAOAAIQPOE-AWSLGLKCSA-N

Note

  • A fluorescent NK2 antagonist.

Molecular Weight

  • 1110.24
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • Bz-Orn(nbd)-ala-trp-phe-pro-pro-nle-NH2
  • Bz-Orn(nbd)-awfpp-nle-NH2
  • Nalpha-Benzoyl-orn(delta-nbd)-ala-D-trp-phe-D-pro-pro-nle-NH2

Registry Numbers

CAS Registry Number

  • 157610-44-1

System Generated Number

  • 0157610441

Structure Descriptors

InChI

1S/C57H67N13O11/c1-3-4-21-41(50(58)71)62-55(76)46-24-14-29-68(46)57(78)47-25-15-30-69(47)56(77)44(31-35-16-7-5-8-17-35)65-54(75)43(32-37-33-60-39-22-12-11-20-38(37)39)64-51(72)34(2)61-53(74)42(63-52(73)36-18-9-6-10-19-36)23-13-28-59-40-26-27-45(70(79)80)49-48(40)66-81-67-49/h5-12,16-20,22,26-27,33-34,41-44,46-47,59-60H,3-4,13-15,21,23-25,28-32H2,1-2H3,(H2,58,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t34-,41-,42-,43+,44-,46-,47+/m0/s1

InChIKey

HYKCXAOAAIQPOE-AWSLGLKCSA-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)CCCNc1ccc(c2c1non2)[N+](=O)[O-])=O)C)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccccc1)=O)=O)=O)CCCC)(=O)N