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Valine, 2,3-didehydro-N-[2,3-didehydro-S-methyl-N-(phenylacetyl)cysteinyl]-, phenylmethyl ester
SpectraBase Compound ID HeRyELaoSPE
InChI InChI=1S/C24H26N2O4S/c1-16(2)22(24(29)30-15-18-9-6-5-7-10-18)26-23(28)17(3)25-21(27)14-19-11-8-12-20(13-19)31-4/h5-13H,3,14-15H2,1-2,4H3,(H,25,27)(H,26,28)
InChIKey UASJJYGMOANVGD-UHFFFAOYSA-N
Mol Weight 438.54 g/mol
Molecular Formula C24H26N2O4S
Exact Mass 438.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35YxZm3pAUR
Name Valine, 2,3-didehydro-N-[2,3-didehydro-S-methyl-N-(phenylacetyl)cysteinyl]-, phenylmethyl ester
CAS Registry Number 129452-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O4S
InChI InChI=1S/C24H26N2O4S/c1-16(2)22(24(29)30-15-18-9-6-5-7-10-18)26-23(28)17(3)25-21(27)14-19-11-8-12-20(13-19)31-4/h5-13H,3,14-15H2,1-2,4H3,(H,25,27)(H,26,28)
InChIKey UASJJYGMOANVGD-UHFFFAOYSA-N
Molecular Weight 438.542 g/mol
SMILES N(C(C(OCc1ccccc1)=O)=C(C)C)C(C(NC(=O)Cc1cc(SC)ccc1)=C)=O
SPLASH splash10-052f-8901000000-90c74949e44bda9d607e
Source of Spectrum KC-1990-291-25
Synonyms Benzyl 3-methyl-2-[(3-methylthio-2-phenyl-acetamido)propenamido]but-2-enoate benzyl 3-methyl-2-{[2-({[3-(methylsulfanyl)phenyl]acetyl}amino)acryloyl]amino}-2-butenoate
Wiley ID 1384123