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2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methyl-1-oxopropyl)-3-phenyl-1-aziridinyl]-4-quinazolinone
SpectraBase Compound ID Klkx3hCgw0C
InChI InChI=1S/C26H31N3O2/c1-16(2)23(30)22-21(18-12-8-7-9-13-18)28(22)29-24(17(3)26(4,5)6)27-20-15-11-10-14-19(20)25(29)31/h7-17,21-22H,1-6H3/t17-,21-,22+,28?/m1/s1
InChIKey OLEZKLCDYHUWQS-NXEUINNFSA-N
Mol Weight 417.55 g/mol
Molecular Formula C26H31N3O2
Exact Mass 417.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47cHzB3CIo3
Name 2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methyl-1-oxopropyl)-3-phenyl-1-aziridinyl]-4-quinazolinone
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Formula C26H31N3O2
InChI InChI=1S/C26H31N3O2/c1-16(2)23(30)22-21(18-12-8-7-9-13-18)28(22)29-24(17(3)26(4,5)6)27-20-15-11-10-14-19(20)25(29)31/h7-17,21-22H,1-6H3/t17-,21-,22+,28?/m1/s1
InChIKey OLEZKLCDYHUWQS-NXEUINNFSA-N
Molecular Weight 417.553 g/mol
SMILES C=1(N(N2[C@](C(=O)C(C)C)([C@]2(c2ccccc2)[H])[H])C(c2c(N1)cccc2)=O)[C@](C(C)(C)C)(C)[H]
SPLASH splash10-006t-1916000000-ef5b4477327eac0cd874
Source of Spectrum KC-0-2127-28
Synonyms 2-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]quinazolin-4-one 3-[(2S,3R)-2-(2-methylpropanoyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-4-one 3-[(2S,3R)-2-isobutyryl-3-phenyl-ethylenimin-1-yl]-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-4-one
Wiley ID 828614