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(S)-1-((2-Methylbenzoyl)-L-prolyl)-N-((S)-1-phenylethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID IqIFXVuKXuU
InChI InChI=1S/C26H31N3O3/c1-18-10-6-7-13-21(18)25(31)29-17-9-15-23(29)26(32)28-16-8-14-22(28)24(30)27-19(2)20-11-4-3-5-12-20/h3-7,10-13,19,22-23H,8-9,14-17H2,1-2H3,(H,27,30)/t19-,22-,23-/m0/s1
InChIKey WZAZVWKMEVOMSE-VJBMBRPKSA-N
Mol Weight 433.55 g/mol
Molecular Formula C26H31N3O3
Exact Mass 433.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkFma6CZlNE
Name (S)-1-((2-Methylbenzoyl)-L-prolyl)-N-((S)-1-phenylethyl)pyrrolidine-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 433.236541867 u
Formula C26H31N3O3
InChI InChI=1S/C26H31N3O3/c1-18-10-6-7-13-21(18)25(31)29-17-9-15-23(29)26(32)28-16-8-14-22(28)24(30)27-19(2)20-11-4-3-5-12-20/h3-7,10-13,19,22-23H,8-9,14-17H2,1-2H3,(H,27,30)/t19-,22-,23-/m0/s1
InChIKey WZAZVWKMEVOMSE-VJBMBRPKSA-N
Molecular Weight 433.552 g/mol
SMILES [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1)C)=O)[H])=O)(C(=O)N[C@@](C)(C1=CC=CC=C1)[H])[H]