![Glycinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[4-(ethoxycarbonyl)phenyl]-](/api/spectrum/mahJwpP5nx/structure.png?h=300&w=458 "Glycinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[4-(ethoxycarbonyl)phenyl]-")
| SpectraBase Compound ID | Ef9tl8vzDPG |
|---|---|
| InChI | InChI=1S/C25H31N3O6/c1-4-16(3)22(28-25(32)34-15-17-9-7-6-8-10-17)23(30)27-14-21(29)20-13-18(26)11-12-19(20)24(31)33-5-2/h6-13,16,22H,4-5,14-15,26H2,1-3H3,(H,27,30)(H,28,32)/t16-,22-/m0/s1 |
| InChIKey | DPZSDANMTAUDCY-AOMKIAJQSA-N |
| Mol Weight | 469.54 g/mol |
| Molecular Formula | C25H31N3O6 |
| Exact Mass | 469.221286 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mahJwpP5nx |
|---|---|
| Name | Glycinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[4-(ethoxycarbonyl)phenyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 469.221285724 u |
| Formula | C25H31N3O6 |
| InChI | InChI=1S/C25H31N3O6/c1-4-16(3)22(28-25(32)34-15-17-9-7-6-8-10-17)23(30)27-14-21(29)20-13-18(26)11-12-19(20)24(31)33-5-2/h6-13,16,22H,4-5,14-15,26H2,1-3H3,(H,27,30)(H,28,32)/t16-,22-/m0/s1 |
| InChIKey | DPZSDANMTAUDCY-AOMKIAJQSA-N |
| Molecular Weight | 469.538 g/mol |
| SMILES | C=1(C(C(=O)OCC)=CC=C(C1)N)C(CNC([C@@](NC(=O)OCC1=CC=CC=C1)([C@](CC)(C)[H])[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916464 |