(S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[N(4)-(benzyloxycarbonyl)cytosin-1-yl]butyric Acid

SpectraBase Compound ID	6jhR8lkivMn
InChI	InChI=1S/C21H26N4O7/c1-21(2,3)32-20(30)22-15(17(26)27)9-11-25-12-10-16(23-18(25)28)24-19(29)31-13-14-7-5-4-6-8-14/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,22,30)(H,26,27)(H,23,24,28,29)/t15-/m0/s1
InChIKey	BEJZRPGHIUPIPM-HNNXBMFYSA-N Google Search
Mol Weight	446.46 g/mol
Molecular Formula	C21H26N4O7
Exact Mass	446.180149 g/mol

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SpectraBase Spectrum ID	2uNtSKW4Mt0
Name	(S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[N(4)-(benzyloxycarbonyl)cytosin-1-yl]butyric Acid
Alternate Name(s)	(2S)-4-(4-{[(benzyloxy)carbonyl]amino}-2-oxo-1(2H)-pyrimidinyl)-2-[(tert-butoxycarbonyl)amino]butanoic acid (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butanoic acid (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoic acid (2S)-4-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butanoic acid (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26N4O7
InChI	InChI=1S/C21H26N4O7/c1-21(2,3)32-20(30)22-15(17(26)27)9-11-25-12-10-16(23-18(25)28)24-19(29)31-13-14-7-5-4-6-8-14/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,22,30)(H,26,27)(H,23,24,28,29)/t15-/m0/s1
InChIKey	BEJZRPGHIUPIPM-HNNXBMFYSA-N
Molecular Weight	446.460 g/mol
SMILES	N(C(OC(C)(C)C)=O)[C@@](CCN1C(N=C(C=C1)NC(=O)OCc1ccccc1)=O)(C(=O)O)[H]
SPLASH	splash10-0200-0094100000-2ca1842928bfa9a996f5
Source of Spectrum	J-62-5448-10
Wiley ID	1386508