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L-(-)-N-(N-carboxy-L-leucyl)leucine, N-benzyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

L-(-)-N-(N-carboxy-L-leucyl)leucine, N-benzyl ester
SpectraBase Compound ID BErb57VIKjB
InChI InChI=1S/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m0/s1
InChIKey XGJGWYRHLPSMLW-IRXDYDNUSA-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 H742xZYCBOd
Name (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-valeric acid
Alternate Name(s) (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid (2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
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Formula C20H30N2O5
InChI InChI=1S/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m0/s1
InChIKey XGJGWYRHLPSMLW-IRXDYDNUSA-N
Molecular Weight 378.469 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(CC(C)C)[H])=O)[C@](C(=O)O)(CC(C)C)[H]
SPLASH splash10-004l-6941000000-cd15711e34dcd6cd2ce6
Source of Spectrum BS-7-153-8
Wiley ID 119135