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L-nle-L-nle, N-(Benzyloxycarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-nle-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
SpectraBase Compound ID HkPUPWB7mXl
InChI InChI=1S/C21H32N2O5/c1-4-6-13-17(19(24)22-18(14-7-5-2)20(25)27-3)23-21(26)28-15-16-11-9-8-10-12-16/h8-12,17-18H,4-7,13-15H2,1-3H3,(H,22,24)(H,23,26)
InChIKey SUSGNFISMMGYFW-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C1ydHC66u5C
Name L-nle-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.231122133 u
Formula C21H32N2O5
InChI InChI=1S/C21H32N2O5/c1-4-6-13-17(19(24)22-18(14-7-5-2)20(25)27-3)23-21(26)28-15-16-11-9-8-10-12-16/h8-12,17-18H,4-7,13-15H2,1-3H3,(H,22,24)(H,23,26)
InChIKey SUSGNFISMMGYFW-UHFFFAOYSA-N
Molecular Weight 392.496 g/mol
SMILES C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OC)=O)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842909