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2-(E)-Heptensaeure, (4S)-4-[((S)-alanyl)amino]-6-methyl-, hydrochlorid
SpectraBase Compound ID 56m5L7VUpG3
InChI InChI=1S/C11H20N2O3.Cl/c1-7(2)6-9(4-5-10(14)15)13-11(16)8(3)12;/h4-5,7-9H,6,12H2,1-3H3,(H,13,16)(H,14,15);/b5-4+;
InChIKey XZYGCYPCRRQNRS-FXRZFVDSSA-N
Mol Weight 263.75 g/mol
Molecular Formula C11H20ClN2O3
Exact Mass 263.116245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jU41BicTzY
Name 2-(E)-Heptensaeure, (4S)-4-[((S)-alanyl)amino]-6-methyl-, hydrochlorid
Alternate Name(s) 2-(E)-Heptensaeure, (4S)-4-[((R)-alanyl)amino]-6-methyl-, hydrochlorid (2E)-4-[(2-aminopropanoyl)amino]-6-methyl-2-heptenoic acid hydrochloride 4-[(2-aminopropanoyl)amino]-6-methyl-2-heptenoic acid hydrochloride
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Formula C11H21ClN2O3
InChI InChI=1S/C11H20N2O3.Cl/c1-7(2)6-9(4-5-10(14)15)13-11(16)8(3)12;/h4-5,7-9H,6,12H2,1-3H3,(H,13,16)(H,14,15);/b5-4+;
InChIKey XZYGCYPCRRQNRS-FXRZFVDSSA-N
Molecular Weight 264.753 g/mol
SMILES Cl.OC(\C=C\C(NC(C(C)N)=O)CC(C)C)=O
SPLASH splash10-0006-9200000000-017a933c41623a24cfcd
Wiley ID 1492041