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Heptanoic acid, (3S,4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-3-(1,1-dimethylethyl)-6-methyl-
SpectraBase Compound ID EyIHDiH8CWp
InChI InChI=1S/C20H38N2O5/c1-12(2)10-15(14(11-16(23)24)19(4,5)6)22-17(25)13(3)21-18(26)27-20(7,8)9/h12-15H,10-11H2,1-9H3,(H,21,26)(H,22,25)(H,23,24)
InChIKey MDUVFAMGDXKWHJ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C20H38N2O5
Exact Mass 386.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iykd1Ct1nxN
Name HEPTANOIC ACID, (3S,4S)-4-[(tert-BUTYLOXYCARBONYL-(S)-ALANYL)AMINO]-3-(1,1-DIMETHYLETHYL)-6-METHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/c1-12(2)10-15(14(11-16(23)24)19(4,5)6)22-17(25)13(3)21-18(26)27-20(7,8)9/h12-15H,10-11H2,1-9H3,(H,21,26)(H,22,25)(H,23,24)
InChIKey MDUVFAMGDXKWHJ-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 386.2771
SMILES N(C(C(NC(C(CC(O)=O)C(C)(C)C)CC(C)C)=O)C)C(=O)OC(C)(C)C
SPLASH splash10-000l-9100000000-9534527a14edcef18adf
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany