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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:10, 17 November 2011 (Saving copy of the {{chembox}} taken from revid 455774442 of page Felypressin for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:10, 17 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 455774442 of page Felypressin for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 455774442 of page Felypressin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1--pyrrolidine-2-carboxylic acid -amide
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
DrugBank
PubChem CID
UNII
InChI
  • InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1Key: SFKQVVDKFKYTNA-DZCXQCEKSA-N
  • InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1Key: SFKQVVDKFKYTNA-DZCXQCEKBI
SMILES
  • NC(=O)CNC(=O)(CCCCN)NC(=O)1CCCN1C(=O)4NC(=O)(NC(=O)(CCC(N)=O)NC(=O)(Cc2ccccc2)NC(=O)(Cc3ccccc3)NC(=O)(N)CSSC4)CC(N)=O
Properties
Chemical formula C46H65N13O11S2
Molar mass 1040.22 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Chemical compound