{2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester

SpectraBase Compound ID	1aQUaOyUEDY
InChI	InChI=1S/C26H31N3O5/c1-17(2)24(26(33)34-16-19-10-6-4-7-11-19)28-25(32)18(3)27-22(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,27,30)(H,28,32)/t18-,21-,24-/m0/s1
InChIKey	HEZMGQWLIIFHJR-XZOYJPPVSA-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	QnciKWgEq
Name	{2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester
Alternate Name(s)	(S)-benzyl 3-methyl-2-((S)-2-(2-((S)-2-oxo-4-phenylazetidin-1-yl)acetamido)propanamido)butanoate (2S)-3-methyl-2-[[(2S)-1-oxo-2-[[1-oxo-2-[(4S)-2-oxo-4-phenyl-1-azetidinyl]ethyl]amino]propyl]amino]butanoic acid (phenylmethyl) ester Benzyl (2S)-3-methyl-2-[[(2S)-2-[[2-[(4S)-2-oxo-4-phenylazetidin-1-yl]acetyl]amino]propanoyl]amino]butanoate Benzyl (2S)-3-methyl-2-[[(2S)-2-[[2-[(4S)-2-oxo-4-phenyl-azetidin-1-yl]acetyl]amino]propanoyl]amino]butanoate (phenylmethyl) (2S)-3-methyl-2-[[(2S)-2-[2-[(4S)-2-oxidanylidene-4-phenyl-azetidin-1-yl]ethanoylamino]propanoyl]amino]butanoate
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Formula	C26H31N3O5
InChI	InChI=1S/C26H31N3O5/c1-17(2)24(26(33)34-16-19-10-6-4-7-11-19)28-25(32)18(3)27-22(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,27,30)(H,28,32)/t18-,21-,24-/m0/s1
InChIKey	HEZMGQWLIIFHJR-XZOYJPPVSA-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(C)C)[H])C([C@@](NC(=O)CN1C(C[C@]1(c1ccccc1)[H])=O)(C)[H])=O
SPLASH	splash10-00r6-7921100000-f0b0483881af2bf2aa4c
Source of Spectrum	APP-333-249-18
Wiley ID	1770454