![L-Alanine, N-[N-[N2-(1-oxodecyl)-N5-pyrimidinyl-L-ornithyl]-L-leucyl]-, methyl ester](/api/spectrum/E8MOxsEc0Zr/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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8MOxsEc0Zr |
|---|---|
| Name | L-Alanine, N-[N-[N2-(1-oxodecyl)-N5-pyrimidinyl-L-ornithyl]-L-leucyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 562.384268729 u |
| 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 | C(N[C@](C(=O)OC)(C)[H])([C@@](NC([C@@](NC(=O)CCCCCCCCC)(CCCNC1=NC=CC=N1)[H])=O)(CC(C)C)[H])=O |