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(4R,5S)-1-[(3S)-3-(benzoxyamino)-4-methyl-pentanoyl]-3,4-dimethyl-5-phenyl-2-imidazolidinone

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(4R,5S)-1-[(3S)-3-(benzoxyamino)-4-methyl-pentanoyl]-3,4-dimethyl-5-phenyl-2-imidazolidinone
SpectraBase Compound ID 1TApds36LBM
InChI InChI=1S/C24H31N3O3/c1-17(2)21(25-30-16-19-11-7-5-8-12-19)15-22(28)27-23(18(3)26(4)24(27)29)20-13-9-6-10-14-20/h5-14,17-18,21,23,25H,15-16H2,1-4H3/t18-,21+,23-/m1/s1
InChIKey XZBDOXFUNMPOPN-RZFNWQHOSA-N
Mol Weight 409.53 g/mol
Molecular Formula C24H31N3O3
Exact Mass 409.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J78v3ptTyZ2
Name (4R,5S)-1-[(3S)-3-(Benzoxyamino)-4-methyl-pentanoyl]-3,4-dimethyl-5-phenyl-2-imidazolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.236541867 u
Formula C24H31N3O3
InChI InChI=1S/C24H31N3O3/c1-17(2)21(25-30-16-19-11-7-5-8-12-19)15-22(28)27-23(18(3)26(4)24(27)29)20-13-9-6-10-14-20/h5-14,17-18,21,23,25H,15-16H2,1-4H3/t18-,21+,23-/m1/s1
InChIKey XZBDOXFUNMPOPN-RZFNWQHOSA-N
Molecular Weight 409.530 g/mol
SMILES C1(N([C@]([C@](N1C)(C)[H])(C1=CC=CC=C1)[H])C(C[C@](NOCC=1C=CC=CC1)(C(C)C)[H])=O)=O