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Methyl N-[(2S,3R)-2-allyl-2-acetamido-3-hydroxy-4-pentenoyl]-(R)-valinate
SpectraBase Compound ID KOe86QRwjDj
InChI InChI=1S/C16H26N2O5/c1-7-9-16(12(20)8-2,18-11(5)19)15(22)17-13(10(3)4)14(21)23-6/h7-8,10,12-13,20H,1-2,9H2,3-6H3,(H,17,22)(H,18,19)/t12-,13-,16+/m1/s1
InChIKey MEGBVFMWLUHYHA-IOASZLSFSA-N
Mol Weight 326.39 g/mol
Molecular Formula C16H26N2O5
Exact Mass 326.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZSa0UXwM6i
Name Methyl N-[(2S,3R)-2-allyl-2-acetamido-3-hydroxy-4-pentenoyl]-(R)-valinate
Alternate Name(s) Methyl (2R)-2-[(2S,3R)-2-acetamido-3-hydroxy-2-(prop-2-en-1-yl)pent-4-enamido]-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N2O5
InChI InChI=1S/C16H26N2O5/c1-7-9-16(12(20)8-2,18-11(5)19)15(22)17-13(10(3)4)14(21)23-6/h7-8,10,12-13,20H,1-2,9H2,3-6H3,(H,17,22)(H,18,19)/t12-,13-,16+/m1/s1
InChIKey MEGBVFMWLUHYHA-IOASZLSFSA-N
Molecular Weight 326.393 g/mol
SMILES N(C([C@]([C@@](C=C)(O)[H])(NC(=O)C)CC=C)=O)[C@@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0udi-0910000000-3f60316f37a53ecdbd79
Source of Spectrum F-53-5935-12
Wiley ID 801756