Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Substance P, methyl ester-
RN: 76260-78-1
InChIKey: KMXCVQGKZYQFIV-CUZNLEPHSA-N

Note

  • COOH-terminal amide of substance P replaced with methyl ester.

Molecular Formula

  • C64-H99-N17-O14-S

Molecular Weight

  • 1348.63
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Substance P, methyl ester-

Synonyms

  • Methyl ester-SP
  • Methyl ester-substance P

Systematic Name

  • Substance P, 11-L-methionine-, methyl ester

Registry Numbers

CAS Registry Number

  • 76260-78-1

System Generated Number

  • 0076260781

Structure Descriptors

InChI

1S/C63H97N17O14S/c1-37(2)33-45(56(87)76-44(27-32-95-4)62(93)94-3)72-52(83)36-71-53(84)46(34-38-15-7-5-8-16-38)77-57(88)47(35-39-17-9-6-10-18-39)78-55(86)41(22-24-50(66)81)73-54(85)42(23-25-51(67)82)74-58(89)49-21-14-31-80(49)61(92)43(19-11-12-28-64)75-59(90)48-20-13-30-79(48)60(91)40(65)26-29-70-63(68)69/h5-10,15-18,37,40-49H,11-14,19-36,64-65H2,1-4H3,(H2,66,81)(H2,67,82)(H,71,84)(H,72,83)(H,73,85)(H,74,89)(H,75,90)(H,76,87)(H,77,88)(H,78,86)(H4,68,69,70)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

InChIKey

KMXCVQGKZYQFIV-CUZNLEPHSA-N

Smiles

N1(C([C@@H](NC([C@H]2N(C(=O)[C@@H](N)CCNC(=N)N)CCC2)=O)CCCCN)=O)[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(=O)OC)CCSC)=O)CC(C)C)=O)=O)Cc2ccccc2)=O)Cc2ccccc2)=O)CCC(=O)N)=O)CCC(=O)N)=O)CCC1