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Substance Name: Spantide II
RN: 129176-97-2
InChIKey: AZZJAARMZMEIHY-BBKUSFMUSA-N

Note

  • Tachykinin antagonist.

Classification Codes

  • Analgesics
  • Central Nervous System Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents

Molecular Formula

  • C86-H104-Cl2-N18-O13

Molecular Weight

  • 1668.79
 
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Names and Synonyms

Name of Substance

  • Spantide II

Synonyms

  • 1-Niclys-3-(3-pal)-5-Cl2Phe-6-asn-7,9-trp-11-nle-substance P
  • 1-Nicotinyl-lysyl-3-pyridyl-alanyl-5-dichloro-phenylalanyl-6-asparaginyl-7,9-tryptophyl-11-norleucine-substance P
  • N6-(3-Pyridinylcarbonyl)-D-lysyl-L-propyl-3-(3-pyridinyl)-L-alanyl-L-propyl-3,4-dichloro-D-phenylalanyl-L-asparaginyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-L-norleucinamide
  • Npcatn-SP
  • Spantide II
  • Substance P, nic-lys(1)-3-pal(3)-Cl2-phe(5)-asn(6)-trp(7,9)-nle(11)-
  • Substance P, nicotinyllysyl(1)-3-pyridylalanyl(3)-dichlorophenyl(5)-asparaginyl(6)-tryptophyl(7,9)-norleucine-

Systematic Names

  • L-Norleucinamide, N6-(3-pyridinylcarbonyl)-D-lysyl-L-prolyl-3-(3-pyridinyl)-L-alanyl-L-prolyl-3,4-dichloro-D-phenylalanyl-L-asparaginyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-
  • L-Norleucinamide, N6-(3-pyridinylcarbonyl)-D-lysyl-L-propyl-3-(3-pyridinyl)-L-alanyl-L-propyl-3,4-dichloro-D-phenylalanyl-L-asparaginyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 129176-97-2

System Generated Number

  • 0129176972

Structure Descriptors

InChI

1S/C86H104Cl2N18O13/c1-4-5-26-66(84(117)106(86(119)73-30-18-37-105(73)83(116)63(91)41-53-21-15-33-93-46-53)85(118)72-29-17-36-104(72)82(115)61(89)25-13-14-35-95-75(108)54-22-16-34-94-47-54)98-77(110)67(38-50(2)3)100-79(112)69(43-55-48-96-64-27-11-9-23-57(55)64)102-78(111)68(42-51-19-7-6-8-20-51)101-80(113)70(44-56-49-97-65-28-12-10-24-58(56)65)103-81(114)71(45-74(92)107)99-76(109)62(90)40-52-31-32-59(87)60(88)39-52/h6-12,15-16,19-24,27-28,31-34,39,46-50,61-63,66-73,96-97H,4-5,13-14,17-18,25-26,29-30,35-38,40-45,89-91H2,1-3H3,(H2,92,107)(H,95,108)(H,98,110)(H,99,109)(H,100,112)(H,101,113)(H,102,111)(H,103,114)/t61-,62-,63+,66+,67+,68+,69-,70-,71+,72+,73+/m1/s1

InChIKey

AZZJAARMZMEIHY-BBKUSFMUSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](N)Cc1cc(c(cc1)Cl)Cl)=O)CC(=O)N)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccccc1)=O)Cc1c[nH]c2ccccc12)=O)CC(C)C)=O)CCCC)(=O)N(C([C@H]1N(CCC1)C([C@@H](N)Cc1cnccc1)=O)=O)C([C@H]1N(CCC1)C([C@H](N)CCCCNC(=O)c1cnccc1)=O)=O