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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:12, 21 November 2011 (Saving copy of the {{chembox}} taken from revid 461587796 of page Bombesin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:12, 21 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 461587796 of page Bombesin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 461587796 of page Bombesin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
File:Bombesin full.png
Names
Other names Pyr-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2
Identifiers
3D model (JSmol)
ChemSpider
IUPHAR/BPS
PubChem CID
InChI
  • InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)80-31-56(100)87-51(29-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-50(27-39-26-38-12-9-10-13-41(38)84-39)66(109)83-37(7)60(103)95-58(36(5)6)70(113)81-32-57(101)86-49(28-40-30-78-33-82-40)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,26,30,33-37,42-51,58,84H,11,14-25,27-29,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,82)(H,80,104)(H,81,113)(H,83,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1Key: DNDCVAGJPBKION-DOPDSADYSA-N
  • InChI=1/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)80-31-56(100)87-51(29-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-50(27-39-26-38-12-9-10-13-41(38)84-39)66(109)83-37(7)60(103)95-58(36(5)6)70(113)81-32-57(101)86-49(28-40-30-78-33-82-40)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,26,30,33-37,42-51,58,84H,11,14-25,27-29,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,82)(H,80,104)(H,81,113)(H,83,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1Key: DNDCVAGJPBKION-DOPDSADYBW
SMILES
  • C(C(=O)N(C(C)C)C(=O)NCC(=O)N(Cc1cnc1)C(=O)N(CC(C)C)C(=O)N(CCSC)C(=O)N)NC(=O)(Cc2cc3ccccc32)NC(=O)(CCC(=O)N)NC(=O)(CC(=O)N)NC(=O)CNC(=O)(CC(C)C)NC(=O)(CCCNC(=N)N)NC(=O)(CCC(=O)N)NC(=O)4CCC(=O)N4
Properties
Chemical formula C71H110N24O18S
Molar mass 1619.85
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound