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Substance Name: Bz-Dab(nbd)-ala-trp-phe-pro-pro-nle-NH2
RN: 161238-74-0
InChIKey: VOHGFGFPNNJOFE-GYCURRFDSA-N

Note

  • A fluorescent NK2 antagonist.

Molecular Formula

  • C56-H65-N13-O11

Molecular Weight

  • 1096.2095
 
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Names and Synonyms

Results Name

  • Bz-Dab(nbd)-ala-trp-phe-pro-pro-nle-NH2

Name of Substance

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

Synonyms

  • Bz-Dab(nbd)-ala-trp-phe-pro-pro-nle-NH2
  • Bz-Dab(nbd)-awfpp-nle-NH2
  • Nalpha-Benzoyl-dab(gamma-nbd)-ala-D-trp-phe-D-pro-pro-nle-NH2

Systematic Name

  • L-Norleucinamide, N2-benzoyl-N4-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-2,4-diaminobutanoyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 161238-74-0

System Generated Number

  • 0161238740

Structure Descriptors

InChI

1S/C56H65N13O11/c1-3-4-20-40(49(57)70)61-54(75)45-22-13-28-67(45)56(77)46-23-14-29-68(46)55(76)43(30-34-15-7-5-8-16-34)64-53(74)42(31-36-32-59-38-21-12-11-19-37(36)38)63-50(71)33(2)60-52(73)41(62-51(72)35-17-9-6-10-18-35)26-27-58-39-24-25-44(69(78)79)48-47(39)65-80-66-48/h5-12,15-19,21,24-25,32-33,40-43,45-46,58-59H,3-4,13-14,20,22-23,26-31H2,1-2H3,(H2,57,70)(H,60,73)(H,61,75)(H,62,72)(H,63,71)(H,64,74)/t33-,40-,41-,42+,43-,45-,46+/m0/s1

InChIKey

VOHGFGFPNNJOFE-GYCURRFDSA-N

Smiles

CCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](C)NC(=O)[C@H](CCNc6ccc(c7c6non7)[N+](=O)[O-])NC(=O)c8ccccc8