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

SpectraBase Compound ID	3Gat0XBeFKx
InChI	InChI=1S/C28H33N3O5/c1-19(2)26(29-24(32)17-31-23(16-25(31)33)21-12-7-4-8-13-21)27(34)30-15-9-14-22(30)28(35)36-18-20-10-5-3-6-11-20/h3-8,10-13,19,22-23,26H,9,14-18H2,1-2H3,(H,29,32)/t22-,23+,26-/m0/s1
InChIKey	LQHSRDIBTVMNTO-ZEVJAHDQSA-N Google Search
Mol Weight	491.6 g/mol
Molecular Formula	C28H33N3O5
Exact Mass	491.242021 g/mol

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SpectraBase Spectrum ID	Gj6HFg3qHtM
Name	[2-(-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-proline - benzyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H33N3O5
InChI	InChI=1S/C28H33N3O5/c1-19(2)26(29-24(32)17-31-23(16-25(31)33)21-12-7-4-8-13-21)27(34)30-15-9-14-22(30)28(35)36-18-20-10-5-3-6-11-20/h3-8,10-13,19,22-23,26H,9,14-18H2,1-2H3,(H,29,32)/t22-,23+,26-/m0/s1
InChIKey	LQHSRDIBTVMNTO-ZEVJAHDQSA-N
Literature Reference DOI	10.1002_1521-4184(20008)333_8_243
Molecular Weight	491.588 g/mol
SMILES	N([C@](C(=O)N1[C@](C(=O)OCc2ccccc2)(CCC1)[H])(C(C)C)[H])C(=O)CN1C(C[C@@]1(c1ccccc1)[H])=O
SPLASH	splash10-0aou-5290000000-b996662a761112e1af3b
Source of Spectrum	APP-333-250-28
Synonyms	{2-[(R)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-valyl-L-proline Benzyl Ester (S)-benzyl 1-((S)-3-methyl-2-(2-((R)-2-oxo-4-phenylazetidin-1-yl)acetamido)butanoyl)pyrrolidine-2-carboxylate
Wiley ID	1770457