[2-(<R>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - benzyl ester - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	BEN9imdJm8s
InChI	InChI=1S/C26H31N3O5/c1-17(2)24(25(32)27-18(3)26(33)34-16-19-10-6-4-7-11-19)28-22(30)15-29-21(14-23(29)31)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,27,32)(H,28,30)/t18-,21+,24-/m0/s1
InChIKey	SILOVKRBOQMNNN-VNZMSGEBSA-N Google Search
Mol Weight	465.55 g/mol
Molecular Formula	C26H31N3O5
Exact Mass	465.226371 g/mol

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SpectraBase Spectrum ID	8oqtWQjUL9p
Name	[2-(-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - benzyl ester
Alternate Name(s)	{2-[(R)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-valyl-L-alanine Benzyl Ester (S)-benzyl 2-((S)-3-methyl-2-(2-((R)-2-oxo-4-phenylazetidin-1-yl)acetamido)butanamido)propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H31N3O5
InChI	InChI=1S/C26H31N3O5/c1-17(2)24(25(32)27-18(3)26(33)34-16-19-10-6-4-7-11-19)28-22(30)15-29-21(14-23(29)31)20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,27,32)(H,28,30)/t18-,21+,24-/m0/s1
InChIKey	SILOVKRBOQMNNN-VNZMSGEBSA-N
Literature Reference DOI	10.1002_1521-4184(20008)333_8_243
Molecular Weight	465.550 g/mol
SMILES	N([C@](C(=O)OCc1ccccc1)(C)[H])C([C@@](NC(=O)CN1C(C[C@@]1(c1ccccc1)[H])=O)(C(C)C)[H])=O
SPLASH	splash10-014l-8790000000-bd3b5e01b075d44f713b
Source of Spectrum	APP-333-249-22
Wiley ID	1770456