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Substance Name: Substance P, sar(9)-met(O2)(11)-
RN: 110880-55-2
UNII: 8V0QAFPRXV
InChIKey: OUPXSLGGCPUZJJ-SARDKLJWSA-N

Note

  • A neurokinin-1 receptor agonist.

Molecular Formula

  • C64-H100-N18-O15-S

Molecular Weight

  • 1393.67
 
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Names and Synonyms

Name of Substance

  • Substance P, sar(9)-met(O2)(11)-

Synonyms

  • (Sar(9))SP sulfone
  • (Sar(9),met(O2)(11))SP
  • 9-Sar-11-met(O2)-substance P
  • 9-Sar-substance P sulfone
  • 9-Sarcosyl-11-methionine(O2)-substance P
  • Bhsar-SP
  • Bolton hunter-9-sar-11-met(02)-substance P
  • Bolton-hunter reagent-substance P. sar(9)-met(02)(11)
  • Sarcosyl(9)-substance P sulfone
  • Substance P, sar(9) sulfone
  • Substance P, sarcosyl(9)-methionine(02)(11)-bhr
  • Substance P, sarcosyl(9)-methionine(O2)(11)-
  • UNII-8V0QAFPRXV

Systematic Name

  • Substance P, 9-(N-methylglycine)-11-(4-(methylsulfonyl)-L-2-aminobutanamide)-

Registry Numbers

CAS Registry Number

  • 110880-55-2

FDA UNII

  • 8V0QAFPRXV

System Generated Number

  • 0110880552

Structure Descriptors

InChI

1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

OUPXSLGGCPUZJJ-SARDKLJWSA-N

Smiles

C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(N[C@H](C(=O)N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N(CC(N[C@H](C(N[C@H](C(=O)N)CCS(C)(=O)=O)=O)CC(C)C)=O)C)=O)Cc2ccccc2)=O)Cc2ccccc2)=O)CCC(N)=O)=O)CCC(=O)N)=O)CCC1)CCCCN)=O)N)(=N)N