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Heptanoic acid, (3S,4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-3-(1,1-dimethylethyl)-6-methyl-
SpectraBase Compound ID EyIHDiH8CWp
InChI InChI=1S/C20H38N2O5/c1-12(2)10-15(14(11-16(23)24)19(4,5)6)22-17(25)13(3)21-18(26)27-20(7,8)9/h12-15H,10-11H2,1-9H3,(H,21,26)(H,22,25)(H,23,24)
InChIKey MDUVFAMGDXKWHJ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C20H38N2O5
Exact Mass 386.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kfd8QB0K5CS
Name Heptanoic acid, (3S,4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-3-(1,1-dimethylethyl)-6-methyl-
Alternate Name(s) 3-tert-Butyl-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]heptanoic acid 3-tert-Butyl-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]heptanoic acid 4-[2-(tert-butoxycarbonylamino)propanoylamino]-3-tert-butyl-6-methyl-enanthic acid 4-[2-(tert-butoxycarbonylamino)propanoylamino]-3-tert-butyl-6-methyl-heptanoic acid
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Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/c1-12(2)10-15(14(11-16(23)24)19(4,5)6)22-17(25)13(3)21-18(26)27-20(7,8)9/h12-15H,10-11H2,1-9H3,(H,21,26)(H,22,25)(H,23,24)
InChIKey MDUVFAMGDXKWHJ-UHFFFAOYSA-N
Molecular Weight 386.533 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)C)=O)C(C(CC(=O)O)C(C)(C)C)CC(C)C
SPLASH splash10-000l-9100000000-d0470bf85ba385988bbd
Wiley ID 1493314