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leu-trp, N-Methoxycarbonyl-, methyl ester (isome 2)

View entire compound with spectra: 1 NMR

leu-trp, N-Methoxycarbonyl-, methyl ester (isome 2)
SpectraBase Compound ID ISUVM2GDZG2
InChI InChI=1S/C20H27N3O5/c1-12(2)9-16(23-20(26)28-4)18(24)22-17(19(25)27-3)10-13-11-21-15-8-6-5-7-14(13)15/h5-8,11-12,16-17,21H,9-10H2,1-4H3,(H,22,24)(H,23,26)
InChIKey WEODJUJCPIAHAZ-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C20H27N3O5
Exact Mass 389.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8oJJMOOiwN
Name leu-trp, N-Methoxycarbonyl-, methyl ester (isome 2)
Comments Computed using HOSE algorithm
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Exact Mass 389.195070976 u
Formula C20H27N3O5
InChI InChI=1S/C20H27N3O5/c1-12(2)9-16(23-20(26)28-4)18(24)22-17(19(25)27-3)10-13-11-21-15-8-6-5-7-14(13)15/h5-8,11-12,16-17,21H,9-10H2,1-4H3,(H,22,24)(H,23,26)
InChIKey WEODJUJCPIAHAZ-UHFFFAOYSA-N
Molecular Weight 389.452 g/mol
SMILES C1(=CNC2=C1C=CC=C2)CC(NC(C(CC(C)C)NC(OC)=O)=O)C(=O)OC