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(S)-3-[N-(2-Acetoxypropoyl)-N-(2-methylpropanoyl)amino]-2-diphenylmethyl-3,4-dihydroquinazolin-4-one isomer
SpectraBase Compound ID A7SZ4G96drR
InChI InChI=1S/C30H29N3O5/c1-19(2)28(35)33(29(36)20(3)38-21(4)34)32-27(31-25-18-12-11-17-24(25)30(32)37)26(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-20,26H,1-4H3/t20-/m0/s1
InChIKey SGLPDYRMBFPPMP-FQEVSTJZSA-N
Mol Weight 511.58 g/mol
Molecular Formula C30H29N3O5
Exact Mass 511.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qSAHCClrZy
Name (S)-3-[N-(2-Acetoxypropoyl)-N-(2-methylpropanoyl)amino]-2-diphenylmethyl-3,4-dihydroquinazolin-4-one isomer
Alternate Name(s) (S)-3-[N-(2-Acetoxypropoyl)-N-(2-methylpropanoyl)amino]-2-diphenylmethyl-3,4-dihydroquinazolin-4-one (1S)-2-[(2-benzhydryl-4-oxo-3(4H)-quinazolinyl)(isobutyryl)amino]-1-methyl-2-oxoethyl acetate
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Formula C30H29N3O5
InChI InChI=1S/C30H29N3O5/c1-19(2)28(35)33(29(36)20(3)38-21(4)34)32-27(31-25-18-12-11-17-24(25)30(32)37)26(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-20,26H,1-4H3/t20-/m0/s1
InChIKey SGLPDYRMBFPPMP-FQEVSTJZSA-N
Molecular Weight 511.578 g/mol
SMILES C=1(N(C(c2c(N1)cccc2)=O)N(C([C@@](OC(=O)C)(C)[H])=O)C(=O)C(C)C)C(c1ccccc1)c1ccccc1
SPLASH splash10-004i-0209010000-d2c00cd1a4b6a9e8e41d
Source of Spectrum KC-0-1053-15
Wiley ID 785529