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L-Alanine, N-(N-L-valyl-L-isoleucyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Alanine, N-(N-L-valyl-L-isoleucyl)-, methyl ester
SpectraBase Compound ID DjoHU9PCU22
InChI InChI=1S/C15H29N3O4/c1-7-9(4)12(18-13(19)11(16)8(2)3)14(20)17-10(5)15(21)22-6/h8-12H,7,16H2,1-6H3,(H,17,20)(H,18,19)/t9-,10-,11-,12-/m0/s1
InChIKey SQZAORQKBYXXEM-BJDJZHNGSA-N
Mol Weight 315.41 g/mol
Molecular Formula C15H29N3O4
Exact Mass 315.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dv2R0ZgMvw2
Name L-Alanine, N-(N-L-valyl-L-isoleucyl)-, methyl ester
Alternate Name(s) Methyl (2S)-2-[((2S,3S)-2-{[(2S)-2-amino-3-methylbutanoyl]amino}-3-methylpentanoyl)amino]propanoate Valylisoleucylalanine methyl ester
CAS Registry Number 37580-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H29N3O4
InChI InChI=1S/C15H29N3O4/c1-7-9(4)12(18-13(19)11(16)8(2)3)14(20)17-10(5)15(21)22-6/h8-12H,7,16H2,1-6H3,(H,17,20)(H,18,19)/t9-,10-,11-,12-/m0/s1
InChIKey SQZAORQKBYXXEM-BJDJZHNGSA-N
Molecular Weight 315.414 g/mol
SMILES N(C([C@@](N)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH splash10-000i-9670000000-e8517de9de4acda0cdba
Source of Spectrum O7-0-817-0
Wiley ID 1315894