| SpectraBase Compound ID | A4svRdVzJGX |
|---|---|
| InChI | InChI=1S/C56H54N8O10/c65-51(47(63-55(69)73-33-37-13-3-1-4-14-37)27-41-21-11-19-39-17-7-9-23-45(39)41)61-49(29-43-31-57-35-59-43)53(67)71-25-26-72-54(68)50(30-44-32-58-36-60-44)62-52(66)48(64-56(70)74-34-38-15-5-2-6-16-38)28-42-22-12-20-40-18-8-10-24-46(40)42/h1-24,31-32,35-36,47-50H,25-30,33-34H2,(H,57,59)(H,58,60)(H,61,65)(H,62,66)(H,63,69)(H,64,70) |
| InChIKey | QWRLIAGOHGFJSL-UHFFFAOYSA-N |
| Mol Weight | 999.1 g/mol |
| Molecular Formula | C56H54N8O10 |
| Exact Mass | 998.39629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5PDEbHh8wz |
|---|---|
| Name | (2S-(R*,S*))-N-(3-(1-NAPHTHALENYL-1-OXO-2-(((PHENYLMETHOXY)-CARBONYL)-AMINO)-PROPYL)-HISTIDIENE_METHYLESTER;AND_(2S-(R*,R*)-N-(3-(1-NAPHTHALENYL-1 |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H54N8O10 |
| InChI | InChI=1S/C56H54N8O10/c65-51(47(63-55(69)73-33-37-13-3-1-4-14-37)27-41-21-11-19-39-17-7-9-23-45(39)41)61-49(29-43-31-57-35-59-43)53(67)71-25-26-72-54(68)50(30-44-32-58-36-60-44)62-52(66)48(64-56(70)74-34-38-15-5-2-6-16-38)28-42-22-12-20-40-18-8-10-24-46(40)42/h1-24,31-32,35-36,47-50H,25-30,33-34H2,(H,57,59)(H,58,60)(H,61,65)(H,62,66)(H,63,69)(H,64,70) |
| InChIKey | QWRLIAGOHGFJSL-UHFFFAOYSA-N |
| Literature Reference Author | C.R.NOE,A.WEIGAND,S.PIRKER |
| Literature Reference Citation | MH.CHEM.,127,1081(1996) |
| Literature Reference DOI | 10.1007/BF00807581 |
| Molecular Weight | 999.092 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ714 |