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L-Aspartyl-2-aminobutyric acid - .alpha.-phenyl(propyl)amide
SpectraBase Compound ID DaPguh3izb7
InChI InChI=1S/C17H25N3O4/c1-3-13(11-8-6-5-7-9-11)19-17(24)14(4-2)20-16(23)12(18)10-15(21)22/h5-9,12-14H,3-4,10,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)/t12-,13-,14+/m0/s1
InChIKey VOCQIRMZTBZFJP-MELADBBJSA-N
Mol Weight 335.4 g/mol
Molecular Formula C17H25N3O4
Exact Mass 335.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Zkq8wjVFIY
Name L-Aspartyl-2-aminobutyric acid - .alpha.-phenyl(propyl)amide
Alternate Name(s) (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]butanoic acid (3S)-3-amino-4-oxo-4-[[(1R)-1-[[(1S)-1-phenylpropyl]carbamoyl]propyl]amino]butanoic acid (3S)-3-azanyl-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]butanoic acid
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Formula C17H25N3O4
InChI InChI=1S/C17H25N3O4/c1-3-13(11-8-6-5-7-9-11)19-17(24)14(4-2)20-16(23)12(18)10-15(21)22/h5-9,12-14H,3-4,10,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)/t12-,13-,14+/m0/s1
InChIKey VOCQIRMZTBZFJP-MELADBBJSA-N
Molecular Weight 335.404 g/mol
SMILES N(C([C@](CC(=O)O)(N)[H])=O)[C@@](C(N[C@](c1ccccc1)(CC)[H])=O)(CC)[H]
SPLASH splash10-0a4l-9100000000-914fe89e20368ec25cb7
Source of Spectrum OP-29-183-2
Wiley ID 850874