![ARG-PRO-PRO-GLY-PHE-L-ALA-PHI-[CN4]-L-ALA-PHE-ARG;[ALA-PHI-[CN4]-ALA](6,7)-BRADIKININ](/api/spectrum/2W3UVNaK2hp/structure.png?h=300&w=458 "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
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| 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 © 2016-2024 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 |