| SpectraBase Compound ID | LHJBVO4J5co |
|---|---|
| InChI | InChI=1S/C63H98N4O5/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-39-47-70-52-58(71-48-40-29-27-25-17-15-13-11-9-7-2)50-64-60(68)59(66-61(69)72-62(3,4)5)49-57-51-67(53-65-57)63(54-41-33-30-34-42-54,55-43-35-31-36-44-55)56-45-37-32-38-46-56/h30-38,41-46,51,53,58-59H,6-29,39-40,47-50,52H2,1-5H3,(H,64,68)(H,66,69) |
| InChIKey | RWCZLYMBEKUIMO-UHFFFAOYSA-N |
| Mol Weight | 991.5 g/mol |
| Molecular Formula | C63H98N4O5 |
| Exact Mass | 990.753722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BU89wWuY9Xj |
|---|---|
| Name | N-ALPHA-BUTYLOXYCARBONYL-N-IM-TRITYL-L-HISTIDINE-(2-LAURYLOXY-3-STEARYLOXY)-PROPYLAMIDE |
| Compound Number | 53 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98N4O5 |
| InChI | InChI=1S/C63H98N4O5/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-39-47-70-52-58(71-48-40-29-27-25-17-15-13-11-9-7-2)50-64-60(68)59(66-61(69)72-62(3,4)5)49-57-51-67(53-65-57)63(54-41-33-30-34-42-54,55-43-35-31-36-44-55)56-45-37-32-38-46-56/h30-38,41-46,51,53,58-59H,6-29,39-40,47-50,52H2,1-5H3,(H,64,68)(H,66,69) |
| InChIKey | RWCZLYMBEKUIMO-UHFFFAOYSA-N |
| Literature Reference Author | J.A.HEYES,D.NICULESCU-DUVAZ,R.G.COOPER,C.J.SPRINGER |
| Literature Reference Citation | J.MED.CHEM.,45,99(2002) |
| Literature Reference DOI | 10.1021/jm010918g |
| Molecular Weight | 991.495 g/mol |
| Sample ID | 64123 |
| Solvent | CDCl3 |