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Substance Name: Substance P, pro(9)-
RN: 104486-69-3
InChIKey: UFBNSKYNZDUWSN-RZGVDQIZSA-N

Molecular Formula

  • C66-H102-N18-O13-S

Molecular Weight

  • 1387.71
 
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Names and Synonyms

Name of Substance

  • Substance P, pro(9)-

Synonyms

  • (Pro(9))substance P
  • Substance P, proline(9)-

Systematic Name

  • Substance P, 9-L-proline-

Registry Numbers

CAS Registry Number

  • 104486-69-3

System Generated Number

  • 0104486693

Structure Descriptors

InChI

1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)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

UFBNSKYNZDUWSN-RZGVDQIZSA-N

Smiles

c1(ccccc1)C[C@H](NC([C@@H](NC(=O)[C@@H](NC([C@@H]1CCCN1C([C@@H](NC(=O)[C@@H]1CCCN1C([C@H](CCCNC(N)=N)N)=O)CCCCN)=O)=O)CCC(N)=O)CCC(N)=O)=O)C(N[C@H](C(N1CCC[C@H]1C(=O)N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC(C)C)=O)Cc1ccccc1)=O