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2-(E)-Heptensaeure, (4S)-4-[((R)-phenylalanyl)amino]-6-methyl-, ethylester, hydrochlorid (D-phe-L-DHSOET.HCL)
SpectraBase Compound ID F0UvwtUtl2y
InChI InChI=1S/C19H28N2O3.Cl/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15;/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23);/b11-10+;
InChIKey GHDRWGJQGYYRCQ-ASTDGNLGSA-N
Mol Weight 367.9 g/mol
Molecular Formula C19H28ClN2O3
Exact Mass 367.178845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vWeCVUO0ay
Name 2-(E)-Heptensaeure, (4S)-4-[((R)-phenylalanyl)amino]-6-methyl-, ethylester, hydrochlorid (D-phe-L-DHSOET.HCL)
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Formula C19H29ClN2O3
InChI InChI=1S/C19H28N2O3.Cl/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15;/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23);/b11-10+;
InChIKey GHDRWGJQGYYRCQ-ASTDGNLGSA-N
Molecular Weight 368.905 g/mol
SMILES Cl.N(C(\C=C\C(OCC)=O)CC(C)C)C(C(Cc1ccccc1)N)=O
SPLASH splash10-00di-4920000000-ef7283fb139168ae9045
Synonyms 2-(E)-Heptensaeure, (4S)-4-[((S)-phenylalanyl)amino]-6-methyl-, ethylester, hydrochlorid (L-phe-L-DHSOET.HCL) Ethyl (2E)-4-[(2-amino-3-phenylpropanoyl)amino]-6-methyl-2-heptenoate hydrochloride Ethyl 4-[(2-amino-3-phenylpropanoyl)amino]-6-methyl-2-heptenoate hydrochloride
Wiley ID 1492952