![L-Alanine, N-[N-[N2-(1-oxodecyl)-N5-pyrimidinyl-L-ornithyl]-L-leucyl]-, methyl ester](/api/spectrum/6EefmJuHuQD/structure.png?h=300&w=458 "L-Alanine, N-[N-[N2-(1-oxodecyl)-N5-pyrimidinyl-L-ornithyl]-L-leucyl]-, methyl ester")
| SpectraBase Compound ID | G4Pr702XwKN |
|---|---|
| InChI | InChI=1S/C29H50N6O5/c1-6-7-8-9-10-11-12-16-25(36)34-23(15-13-17-30-29-31-18-14-19-32-29)26(37)35-24(20-21(2)3)27(38)33-22(4)28(39)40-5/h14,18-19,21-24H,6-13,15-17,20H2,1-5H3,(H,33,38)(H,34,36)(H,35,37)(H,30,31,32)/t22-,23-,24-/m0/s1 |
| InChIKey | VZIHYGGWBIFYJU-HJOGWXRNSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C29H50N6O5 |
| Exact Mass | 562.384269 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6EefmJuHuQD |
|---|---|
| Name | L-Alanine, N-[N-[N2-(1-oxodecyl)-N5-pyrimidinyl-L-ornithyl]-L-leucyl]-, methyl ester |
| CAS Registry Number | 72088-17-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50N6O5 |
| InChI | InChI=1S/C29H50N6O5/c1-6-7-8-9-10-11-12-16-25(36)34-23(15-13-17-30-29-31-18-14-19-32-29)26(37)35-24(20-21(2)3)27(38)33-22(4)28(39)40-5/h14,18-19,21-24H,6-13,15-17,20H2,1-5H3,(H,33,38)(H,34,36)(H,35,37)(H,30,31,32)/t22-,23-,24-/m0/s1 |
| InChIKey | VZIHYGGWBIFYJU-HJOGWXRNSA-N |
| Molecular Weight | 562.756 g/mol |
| SMILES | N(C([C@@](NC([C@](CCCNc1ncccn1)(NC(=O)CCCCCCCCC)[H])=O)(CC(C)C)[H])=O)[C@](C(=O)OC)(C)[H] |
| SPLASH | splash10-0002-2901010000-03a72ad22e9dc9e291a2 |
| Source of Spectrum | W-15-432-8 |
| Synonyms | Methyl (2S)-2-[((2S)-2-{[(2S)-2-(decanoylamino)-5-(2-pyrimidinylamino)pentanoyl]amino}-4-methylpentanoyl)amino]propanoate N-.alpha.-Decanoyl,N-delta-pyrimidyl-ornithylleucylalanine methyl ester N-.alpha.-Decanoyl-N-.delta.-pyrimidylornithylleucylalanine methyl ester |
| Wiley ID | 1406911 |