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(3S)-3-phthalimidoglutaryl-(S)-alanine
SpectraBase Compound ID GszjQK67F2J
InChI InChI=1S/C16H16N2O7/c1-8(16(24)25)17-12(19)6-9(7-13(20)21)18-14(22)10-4-2-3-5-11(10)15(18)23/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)(H,24,25)/t8-,9-/m0/s1
InChIKey MMHLKZZEEMBXSB-IUCAKERBSA-N
Mol Weight 348.31 g/mol
Molecular Formula C16H16N2O7
Exact Mass 348.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G31WwDsbC46
Name (3S)-3-phthalimidoglutaryl-(S)-alanine
Alternate Name(s) (3S)-5-{[(1S)-1-carboxyethyl]amino}-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoic acid
CAS Registry Number 130737-79-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O7
InChI InChI=1S/C16H16N2O7/c1-8(16(24)25)17-12(19)6-9(7-13(20)21)18-14(22)10-4-2-3-5-11(10)15(18)23/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)(H,24,25)/t8-,9-/m0/s1
InChIKey MMHLKZZEEMBXSB-IUCAKERBSA-N
Molecular Weight 348.311 g/mol
SMILES N(C(C[C@@](CC(=O)O)(N1C(c2ccccc2C1=O)=O)[H])=O)[C@](C(=O)O)(C)[H]
SPLASH splash10-0002-0009000000-c0e0b58800113be2bb63
Source of Spectrum KC-1990-2368-18
Wiley ID 1340386