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isoleucine, N-[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]-
SpectraBase Compound ID 7nxxDNVqn23
InChI InChI=1S/C20H30N2O5/c1-5-13(3)16(18(23)21-17(19(24)25)14(4)6-2)22-20(26)27-12-15-10-8-7-9-11-15/h7-11,13-14,16-17H,5-6,12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKey QJJULDSUCQXEDB-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C20H30N2O5
Exact Mass 378.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZrjC829jDa
Name 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid
Alternate Name(s) 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-valeric acid 3-Methyl-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid 3-Methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
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Formula C20H30N2O5
InChI InChI=1S/C20H30N2O5/c1-5-13(3)16(18(23)21-17(19(24)25)14(4)6-2)22-20(26)27-12-15-10-8-7-9-11-15/h7-11,13-14,16-17H,5-6,12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKey QJJULDSUCQXEDB-UHFFFAOYSA-N
Molecular Weight 378.469 g/mol
SMILES N(C(C(NC(=O)OCc1ccccc1)C(CC)C)=O)C(C(=O)O)C(CC)C
SPLASH splash10-0006-9300000000-966f145f2d2e9080014c
Wiley ID 1452624