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(S)-2-((S)-2-But-2-enoylamino-propionylamino)-3-phenyl-propionic acid
SpectraBase Compound ID 2gDov7knpLU
InChI InChI=1S/C16H20N2O4/c1-3-7-14(19)17-11(2)15(20)18-13(16(21)22)10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/b7-3+/t11-,13-/m0/s1
InChIKey KZQQAUSHENXGFH-TWICZNDLSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7A2iOC7okDy
Name (S)-2-((S)-2-But-2-enoylamino-propionylamino)-3-phenyl-propionic acid
Alternate Name(s) 2-[2-(2-Butenoylamino)propanoylamino]-3-phenylpropionic acid (S)-2-((S)-2-((E)-but-2-enamido)propanamido)-3-phenylpropanoic acid (2S)-2-[[(2S)-1-oxo-2-[[(E)-1-oxobut-2-enyl]amino]propyl]amino]-3-phenylpropanoic acid (2S)-2-[[(2S)-2-[[(E)-but-2-enoyl]amino]propanoyl]amino]-3-phenylpropanoic acid (2S)-2-[[(2S)-2-[[(E)-but-2-enoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid
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Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-3-7-14(19)17-11(2)15(20)18-13(16(21)22)10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/b7-3+/t11-,13-/m0/s1
InChIKey KZQQAUSHENXGFH-TWICZNDLSA-N
Molecular Weight 304.346 g/mol
SMILES N(C([C@@](NC(\C=C\C)=O)(C)[H])=O)[C@](C(=O)O)(Cc1ccccc1)[H]
SPLASH splash10-014i-9200000000-0e151889b1000ae37bbb
Source of Spectrum EMC-35-647-4
Wiley ID 1734590