(2S)-2-formamido-4-methylpentanoic acid [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyl-4-oxanyl] ester

SpectraBase Compound ID	8EVTMucQTrV
InChI	InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
InChIKey	IYWNIYFHQZQPBP-YIPNQBBMSA-N Google Search
Mol Weight	495.7 g/mol
Molecular Formula	C29H53NO5
Exact Mass	495.392374 g/mol

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SpectraBase Spectrum ID	F7cJkpuhru5
Name	(2S)-2-Formamido-4-methylpentanoic acid [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyl-4-oxanyl] ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	495.392373806 u
Formula	C29H53NO5
InChI	InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
InChIKey	IYWNIYFHQZQPBP-YIPNQBBMSA-N
Molecular Weight	495.745 g/mol
SMILES	C1([C@]([C@](OC([C@](CC(C)C)(NC=O)[H])=O)(C[C@@](O1)(CCCCCCCCCCC)[H])[H])(CCCCCC)[H])=O