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L-Proline, N-[[(2S,3S)-3-[(propylamino)carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, methyl ester

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L-Proline, N-[[(2S,3S)-3-[(propylamino)carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, methyl ester
SpectraBase Compound ID LoDVPDiv58d
InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
InChIKey XGWSRLSPWIEMLQ-YTFOTSKYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C19H31N3O6
Exact Mass 397.221286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jnBKIs7vMj
Name L-Proline, N-[[(2S,3S)-3-[(propylamino)carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.221285724 u
Formula C19H31N3O6
InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
InChIKey XGWSRLSPWIEMLQ-YTFOTSKYSA-N
Molecular Weight 397.472 g/mol
SMILES C(N[C@](C(=O)N1[C@](C(OC)=O)(CCC1)[H])([C@](CC)(C)[H])[H])(=O)[C@@]1([C@@](C(NCCC)=O)(O1)[H])[H]