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Methyl 2-[([(2-[acetyl(methyl)amino]-4-methylpentanoyl)(methyl)amino]acetyl)(methyl)amino]-3-phenylpropanoate

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Methyl 2-[([(2-[acetyl(methyl)amino]-4-methylpentanoyl)(methyl)amino]acetyl)(methyl)amino]-3-phenylpropanoate
SpectraBase Compound ID IOIYvwyoj7S
InChI InChI=1S/C23H35N3O5/c1-16(2)13-19(25(5)17(3)27)22(29)24(4)15-21(28)26(6)20(23(30)31-7)14-18-11-9-8-10-12-18/h8-12,16,19-20H,13-15H2,1-7H3
InChIKey QBMSMPOASDVAML-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H35N3O5
Exact Mass 433.257671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GPWqosnVaW
Name Methyl 2-[([(2-[acetyl(methyl)amino]-4-methylpentanoyl)(methyl)amino]acetyl)(methyl)amino]-3-phenylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 433.257671234 u
Formula C23H35N3O5
InChI InChI=1S/C23H35N3O5/c1-16(2)13-19(25(5)17(3)27)22(29)24(4)15-21(28)26(6)20(23(30)31-7)14-18-11-9-8-10-12-18/h8-12,16,19-20H,13-15H2,1-7H3
InChIKey QBMSMPOASDVAML-UHFFFAOYSA-N
Molecular Weight 433.549 g/mol
SMILES CC(C)CC(C(N(C)CC(N(C)C(CC1=CC=CC=C1)C(=O)OC)=O)=O)N(C)C(C)=O