![L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester](/api/spectrum/97YZtUz2fFT/structure.png?h=300&w=458 "L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester")
| SpectraBase Compound ID | Ah1eaWqBYae |
|---|---|
| InChI | InChI=1S/C30H45N5O6/c1-5-6-7-8-9-10-11-16-26(36)32-19-27(37)35-25(17-22-18-31-24-15-13-12-14-23(22)24)29(39)33-20(2)28(38)34-21(3)30(40)41-4/h12-15,18,20-21,25,31H,5-11,16-17,19H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)(H,35,37) |
| InChIKey | MPMCVDLITHVKGR-UHFFFAOYSA-N |
| Mol Weight | 571.7 g/mol |
| Molecular Formula | C30H45N5O6 |
| Exact Mass | 571.336984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97YZtUz2fFT |
|---|---|
| Name | L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 571.336984183 u |
| Formula | C30H45N5O6 |
| InChI | InChI=1S/C30H45N5O6/c1-5-6-7-8-9-10-11-16-26(36)32-19-27(37)35-25(17-22-18-31-24-15-13-12-14-23(22)24)29(39)33-20(2)28(38)34-21(3)30(40)41-4/h12-15,18,20-21,25,31H,5-11,16-17,19H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)(H,35,37) |
| InChIKey | MPMCVDLITHVKGR-UHFFFAOYSA-N |
| Molecular Weight | 571.719 g/mol |
| SMILES | C(CC=1C2=C(C=CC=C2)NC1)(C(NC(C(NC(C(OC)=O)C)=O)C)=O)NC(CNC(CCCCCCCCC)=O)=O |