John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FNi1jo4K94x SpectraBase Spectrum ID=2W3UVNaK2hp

(accessed ).
ARG-PRO-PRO-GLY-PHE-L-ALA-PHI-[CN4]-L-ALA-PHE-ARG;[ALA-PHI-[CN4]-ALA](6,7)-BRADIKININ
SpectraBase Compound ID FNi1jo4K94x
InChI InChI=1S/C48H70N18O9/c1-28(39-61-62-63-66(39)29(2)40(68)60-35(26-31-15-7-4-8-16-31)42(70)59-33(46(74)75)18-10-22-55-48(52)53)57-41(69)34(25-30-13-5-3-6-14-30)58-38(67)27-56-43(71)36-19-11-23-64(36)45(73)37-20-12-24-65(37)44(72)32(49)17-9-21-54-47(50)51/h3-8,13-16,28-29,32-37H,9-12,17-27,49H2,1-2H3,(H,56,71)(H,57,69)(H,58,67)(H,59,70)(H,60,68)(H,74,75)(H4,50,51,54)(H4,52,53,55)/t28?,29-,32?,33?,34-,35-,36?,37?/m0/s1
InChIKey ICRAEJDRQRGILJ-CAGGGLCBSA-N
Mol Weight 1043.2 g/mol
Molecular Formula C48H70N18O9
Exact Mass 1042.557316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2W3UVNaK2hp
Name ARG-PRO-PRO-GLY-PHE-L-ALA-PHI-[CN4]-L-ALA-PHE-ARG;[ALA-PHI-[CN4]-ALA](6,7)-BRADIKININ
CAS Registry Number 133641-26-6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H70N18O9
InChI InChI=1S/C48H70N18O9/c1-28(39-61-62-63-66(39)29(2)40(68)60-35(26-31-15-7-4-8-16-31)42(70)59-33(46(74)75)18-10-22-55-48(52)53)57-41(69)34(25-30-13-5-3-6-14-30)58-38(67)27-56-43(71)36-19-11-23-64(36)45(73)37-20-12-24-65(37)44(72)32(49)17-9-21-54-47(50)51/h3-8,13-16,28-29,32-37H,9-12,17-27,49H2,1-2H3,(H,56,71)(H,57,69)(H,58,67)(H,59,70)(H,60,68)(H,74,75)(H4,50,51,54)(H4,52,53,55)/t28?,29-,32?,33?,34-,35-,36?,37?/m0/s1
InChIKey ICRAEJDRQRGILJ-CAGGGLCBSA-N
Literature Reference Author J.ZABROCKI,J.B.DUNBAR,K.W.MARSHALL,M.V.TOTH,G.R.MARSHALL
Literature Reference Citation J.ORG.CHEM.,57,202(1992)
Literature Reference DOI 10.1021/jo00027a038
Molecular Weight 1043.199 g/mol
Solvent D2O
Source File Reference UWCS1690
SpectraBase Batch ID 3QhABcf5nUQ