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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 11:03, 17 November 2011 (Saving copy of the {{chembox}} taken from revid 443835418 of page Endomorphin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 11:03, 17 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 443835418 of page Endomorphin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 443835418 of page Endomorphin with values updated to verified values.
Endomorphins
Endomorphin-1
Endomorphin-2
Names
IUPAC names L-Tyrosyl-L-prolyl-L-tryptophyl-L-phenylalaninamide (Endmorphin-1)
L-Tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide (Endmorphin-2)
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)Key: XIJHWXXXIMEHKW-UHFFFAOYSA-N
  • (Endomorphin-1): InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
  • (Endomorphin-2): InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
SMILES
  • (Endomorphin-1): O=C(N)(NC(=O)(NC(=O)2N(C(=O)(N)Cc1ccc(O)cc1)CCC2)Cc4c3ccccc3nc4)Cc5ccccc5
  • (Endomorphin-2): O=C(N(C(=O)N(C(=O)N)Cc1ccccc1)Cc2ccccc2)4N(C(=O)(N)Cc3ccc(O)cc3)CCC4
Properties
Chemical formula C34H38N6O5 (Endmorphin-1)
C32H37N5O5 (Endomorphin-2)
Molar mass 610.703 g/mol (Endomorphin-1)
571.667 g/mol (Endomorphin-2)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound
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