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Substance Name: Substance P, pro(9)-met(O2)(11)-
RN: 110880-54-1
InChIKey: CIAZADKEBGTART-RZGVDQIZSA-N

Molecular Formula

  • C66-H102-N18-O15-S

Molecular Weight

  • 1419.7088
 
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Names and Synonyms

Name of Substance

  • Substance P, pro(9)-met(O2)(11)-

Synonyms

  • 9-Pro-11-met(O2)-substance P
  • 9-Prolyl-11-methionine(O2)-substance P
  • Substance P, prolyl(9)-methionine(O2)(11)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110880-54-1

System Generated Number

  • 0110880541

Structure Descriptors

InChI

1S/C66H102N18O15S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-100(3,98)99)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

CIAZADKEBGTART-RZGVDQIZSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)N