Benzyl 2-[(3-(acetylsulfanyl)-2-([(benzyloxy)carbonyl]amino)propanoyl)amino]-3-methylbutanoate

SpectraBase Compound ID	3U8thiB9CpJ
InChI	InChI=1S/C25H30N2O6S/c1-17(2)22(24(30)32-14-19-10-6-4-7-11-19)27-23(29)21(16-34-18(3)28)26-25(31)33-15-20-12-8-5-9-13-20/h4-13,17,21-22H,14-16H2,1-3H3,(H,26,31)(H,27,29)
InChIKey	XGVUUEXMHRXMOE-UHFFFAOYSA-N Google Search
Mol Weight	486.58 g/mol
Molecular Formula	C25H30N2O6S
Exact Mass	486.182458 g/mol

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SpectraBase Spectrum ID	EL7rwhYxvjw
Name	Benzyl 2-[(3-(acetylsulfanyl)-2-([(benzyloxy)carbonyl]amino)propanoyl)amino]-3-methylbutanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H30N2O6S
InChI	InChI=1S/C25H30N2O6S/c1-17(2)22(24(30)32-14-19-10-6-4-7-11-19)27-23(29)21(16-34-18(3)28)26-25(31)33-15-20-12-8-5-9-13-20/h4-13,17,21-22H,14-16H2,1-3H3,(H,26,31)(H,27,29)
InChIKey	XGVUUEXMHRXMOE-UHFFFAOYSA-N
Molecular Weight	486.583 g/mol
SMILES	N(C(C(NC(=O)OCc1ccccc1)CSC(=O)C)=O)C(C(OCc1ccccc1)=O)C(C)C
SPLASH	splash10-0006-9220000000-946a53e461669f85e7a2
Synonyms	(phenylmethyl) 2-[[3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoate 2-[[3-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid (phenylmethyl) ester 2-[[3-(acetylthio)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzyl ester benzyl 2-[[3-acetylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
Wiley ID	1485418