![(2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester](/api/spectrum/5zKaJjoIwaX/structure.png?h=300&w=458 "(2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester")
| SpectraBase Compound ID | KfCHftOEPwg |
|---|---|
| InChI | InChI=1S/C21H33N3O5/c1-21(2,3)29-20(27)24-17(14-15-10-6-5-7-11-15)18(25)23-16(19(26)28-4)12-8-9-13-22/h5-7,10-11,16-17H,8-9,12-14,22H2,1-4H3,(H,23,25)(H,24,27)/t16-,17-/m0/s1 |
| InChIKey | IZEBOGHAECIPHW-IRXDYDNUSA-N |
| Mol Weight | 407.5 g/mol |
| Molecular Formula | C21H33N3O5 |
| Exact Mass | 407.242021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zKaJjoIwaX |
|---|---|
| Name | (2S)-6-Amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.242021170 u |
| Formula | C21H33N3O5 |
| InChI | InChI=1S/C21H33N3O5/c1-21(2,3)29-20(27)24-17(14-15-10-6-5-7-11-15)18(25)23-16(19(26)28-4)12-8-9-13-22/h5-7,10-11,16-17H,8-9,12-14,22H2,1-4H3,(H,23,25)(H,24,27)/t16-,17-/m0/s1 |
| InChIKey | IZEBOGHAECIPHW-IRXDYDNUSA-N |
| Molecular Weight | 407.511 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CCCCN)[H])([C@@](NC(OC(C)(C)C)=O)(CC1=CC=CC=C1)[H])=O |