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Substance Name: alpha-Msh (1-13), val(13)-
RN: 10466-28-1
InChIKey: MBBQINYFFIKILA-PDEGJNOBSA-N

Note

  • Inhibits Il-1beta-induced peripheral inflammation.

Molecular Formula

  • C77-H108-N20-O20-S

Molecular Weight

  • 1665.89
 
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Names and Synonyms

Name of Substance

  • alpha-Msh (1-13), val(13)-

Synonyms

  • 13-Val-alpha-msh (1-13)
  • alpha-Msh(1-13),valine(13)-

Systematic Name

  • alpha-Melanotropin (pig), 13-L-valine-

Registry Numbers

CAS Registry Number

  • 10466-28-1

System Generated Number

  • 0010466281

Structure Descriptors

InChI

1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58?,59-,60-,61-,64-/m0/s1

InChIKey

MBBQINYFFIKILA-PDEGJNOBSA-N

Smiles

OC(=O)[C@H](C(C)C)NC([C@@H]1CCCN1C([C@@H](NC(=O)CNC([C@H](Cc1c2c(cccc2)[nH]c1)NC([C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC([C@@H](Cc1cnc[nH]1)NC([C@H](CCC(O)=O)NC([C@@H](NC([C@@H](NC([C@H](Cc1ccc(cc1)O)NC([C@H](CO)NC(C)=O)=O)=O)CO)=O)CCSC)=O)=O)=O)=O)=O)CCCCN)=O)=O