![ARG-L-PRO-PHI-[CN4]-L-ALA-GLY-PHE-SER-PRO-PHE-ARG;[PRO-PHI-[CN4]-ALA];(2,3)-BRADIKININ](/api/spectrum/7lEXQjsxtiS/structure.png?h=300&w=458 "ARG-L-PRO-PHI-[CN4]-L-ALA-GLY-PHE-SER-PRO-PHE-ARG;[PRO-PHI-[CN4]-ALA];(2,3)-BRADIKININ")
| SpectraBase Compound ID | CUTBsTcibnt |
|---|---|
| InChI | InChI=1S/C48H70N18O10/c1-28(66-39(61-62-63-66)36-18-10-22-64(36)44(73)31(49)16-8-20-54-47(50)51)40(69)56-26-38(68)57-33(24-29-12-4-2-5-13-29)41(70)60-35(27-67)45(74)65-23-11-19-37(65)43(72)59-34(25-30-14-6-3-7-15-30)42(71)58-32(46(75)76)17-9-21-55-48(52)53/h2-7,12-15,28,31-37,67H,8-11,16-27,49H2,1H3,(H,56,69)(H,57,68)(H,58,71)(H,59,72)(H,60,70)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t28?,31?,32-,33-,34-,35-,36?,37?/m0/s1 |
| InChIKey | CGKCGAYRQVPSTA-BSKVMPBNSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C48H70N18O10 |
| Exact Mass | 1058.552231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lEXQjsxtiS |
|---|---|
| Name | ARG-L-PRO-PHI-[CN4]-L-ALA-GLY-PHE-SER-PRO-PHE-ARG;[PRO-PHI-[CN4]-ALA];(2,3)-BRADIKININ |
| CAS Registry Number | 133641-27-7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H70N18O10 |
| InChI | InChI=1S/C48H70N18O10/c1-28(66-39(61-62-63-66)36-18-10-22-64(36)44(73)31(49)16-8-20-54-47(50)51)40(69)56-26-38(68)57-33(24-29-12-4-2-5-13-29)41(70)60-35(27-67)45(74)65-23-11-19-37(65)43(72)59-34(25-30-14-6-3-7-15-30)42(71)58-32(46(75)76)17-9-21-55-48(52)53/h2-7,12-15,28,31-37,67H,8-11,16-27,49H2,1H3,(H,56,69)(H,57,68)(H,58,71)(H,59,72)(H,60,70)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t28?,31?,32-,33-,34-,35-,36?,37?/m0/s1 |
| InChIKey | CGKCGAYRQVPSTA-BSKVMPBNSA-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 | 1059.198 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS1691 |