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N-tert-Butyl-2-[3-(3-(4-tolyl)ureido)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethanoic acid amide
SpectraBase Compound ID 418APAKH0ae
InChI InChI=1S/C30H34N4O3/c1-20-14-16-22(17-15-20)31-29(37)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
InChIKey UXSCCYZDWXCQRW-JWQCQUIFSA-N
Mol Weight 498.6 g/mol
Molecular Formula C30H34N4O3
Exact Mass 498.263091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2AoSXFBjks
Name N-tert-Butyl-2-[3-(3-(4-tolyl)ureido)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethanoic acid amide
Alternate Name(s) N-tert-butyl-2-[(3R,5R)-3-[[(4-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide N-tert-butyl-2-[(3R,5R)-3-[(4-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide N-tert-butyl-2-[(3R,5R)-2-oxo-5-phenyl-3-(p-tolylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide N-tert-butyl-2-[(3R,5R)-3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide
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Formula C30H34N4O3
InChI InChI=1S/C30H34N4O3/c1-20-14-16-22(17-15-20)31-29(37)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
InChIKey UXSCCYZDWXCQRW-JWQCQUIFSA-N
Molecular Weight 498.627 g/mol
SMILES N(C(Nc1ccc(cc1)C)=O)[C@]1(C(N(CC(NC(C)(C)C)=O)c2c([C@](C1)(c1ccccc1)[H])cccc2)=O)[H]
SPLASH splash10-0089-0922000000-08262cfea388176820d4
Source of Spectrum E1-37-3796-9
Wiley ID 1575381