N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-(N-propyloxycarbonyl)-, N-propyl ester

SpectraBase Compound ID	HwJ2a1O5Gar
InChI	InChI=1S/C15H28N2O5/c1-5-7-21-14(19)10-12(4)16-13(18)9-11(3)17-15(20)22-8-6-2/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,20)/t11-,12-/m0/s1
InChIKey	CKKLFGDTOGEZLZ-RYUDHWBXSA-N Google Search
Mol Weight	316.4 g/mol
Molecular Formula	C15H28N2O5
Exact Mass	316.199822 g/mol

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SpectraBase Spectrum ID	KMda2dH3JGG
Name	N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	316.199822005 u
Formula	C15H28N2O5
InChI	InChI=1S/C15H28N2O5/c1-5-7-21-14(19)10-12(4)16-13(18)9-11(3)17-15(20)22-8-6-2/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,20)/t11-,12-/m0/s1
InChIKey	CKKLFGDTOGEZLZ-RYUDHWBXSA-N
Molecular Weight	316.398 g/mol
SMILES	C([C@](C)(NC(OCCC)=O)[H])C(=O)N[C@](CC(=O)OCCC)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.958821