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(2S,4S)-4-[4-(3-benzoyl-2,4-diketo-pyrimidin-1-yl)butyl]-2-tert-butyl-5-keto-oxazolidine-3-carboxylic acid benzyl ester
SpectraBase Compound ID 3L3opVWqYNL
InChI InChI=1S/C30H33N3O7/c1-30(2,3)27-32(29(38)39-20-21-12-6-4-7-13-21)23(26(36)40-27)16-10-11-18-31-19-17-24(34)33(28(31)37)25(35)22-14-8-5-9-15-22/h4-9,12-15,17,19,23,27H,10-11,16,18,20H2,1-3H3/t23-,27-/m0/s1
InChIKey XBRHNPBMEGUMBK-HOFKKMOUSA-N
Mol Weight 547.6 g/mol
Molecular Formula C30H33N3O7
Exact Mass 547.23185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQAhKYGtTU2
Name (2S,4S)-4-[4-(3-benzoyl-2,4-diketo-pyrimidin-1-yl)butyl]-2-tert-butyl-5-keto-oxazolidine-3-carboxylic acid benzyl ester
Alternate Name(s) (2S,4S)-4-[4-(3-benzoyl-2,4-dioxo-1-pyrimidinyl)butyl]-2-tert-butyl-5-oxo-3-oxazolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2S,4S)-4-[4-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]butyl]-2-tert-butyl-5-oxidanylidene-1,3-oxazolidine-3-carboxylate benzyl (2S,4S)-4-[4-(3-benzoyl-2,4-dioxo-pyrimidin-1-yl)butyl]-2-tert-butyl-5-oxo-oxazolidine-3-carboxylate benzyl (2S,4S)-4-[4-(3-benzoyl-2,4-dioxopyrimidin-1-yl)butyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylate
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Formula C30H33N3O7
InChI InChI=1S/C30H33N3O7/c1-30(2,3)27-32(29(38)39-20-21-12-6-4-7-13-21)23(26(36)40-27)16-10-11-18-31-19-17-24(34)33(28(31)37)25(35)22-14-8-5-9-15-22/h4-9,12-15,17,19,23,27H,10-11,16,18,20H2,1-3H3/t23-,27-/m0/s1
InChIKey XBRHNPBMEGUMBK-HOFKKMOUSA-N
Molecular Weight 547.608 g/mol
SMILES C1(N(C(C=CN1CCCC[C@@]1(N([C@](C(C)(C)C)(OC1=O)[H])C(OCc1ccccc1)=O)[H])=O)C(=O)c1ccccc1)=O
SPLASH splash10-0005-0624910000-58b04dafe57ff3fca829
Source of Spectrum KC-57-6548-18
Wiley ID 1625251