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Benzyl 2-([2-([(benzyloxy)carbonyl]amino)-3-(benzylsulfanyl)propanoyl]amino)-3-methylbutanoate
SpectraBase Compound ID 7tvoPV9mItY
InChI InChI=1S/C30H34N2O5S/c1-22(2)27(29(34)36-18-23-12-6-3-7-13-23)32-28(33)26(21-38-20-25-16-10-5-11-17-25)31-30(35)37-19-24-14-8-4-9-15-24/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,35)(H,32,33)
InChIKey RQBNLFUJVSHAPU-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C30H34N2O5S
Exact Mass 534.218843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkKU9wpOYjo
Name Benzyl 2-([2-([(benzyloxy)carbonyl]amino)-3-(benzylsulfanyl)propanoyl]amino)-3-methylbutanoate
CAS Registry Number 79761-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N2O5S
InChI InChI=1S/C30H34N2O5S/c1-22(2)27(29(34)36-18-23-12-6-3-7-13-23)32-28(33)26(21-38-20-25-16-10-5-11-17-25)31-30(35)37-19-24-14-8-4-9-15-24/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,35)(H,32,33)
InChIKey RQBNLFUJVSHAPU-UHFFFAOYSA-N
Molecular Weight 534.671 g/mol
SMILES N(C(OCc1ccccc1)=O)C(C(=O)NC(C(C)C)C(=O)OCc1ccccc1)CSCc1ccccc1
SPLASH splash10-0006-9101000000-e36ddcb742699da1b466
Synonyms (phenylmethyl) 3-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]butanoate 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-methyl-butyric acid benzyl ester 3-Methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]butanoic acid (phenylmethyl) ester benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate d-Valine, N-[N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-l-cysteinyl]-, phenylmethyl ester
Wiley ID 1485420