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(E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-keto-propyl]-5-ethyl-2-keto-4-piperidyl]-3-methoxy-acrylic acid methyl ester
SpectraBase Compound ID JIWzTxFifE5
InChI InChI=1S/C21H28N2O5/c1-4-14-12-23(10-9-19(24)15-7-5-6-8-18(15)22)20(25)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16H,4,9-12,22H2,1-3H3/b17-13+/t14-,16-/m0/s1
InChIKey ZTUZRWXCTQNSDT-LEKKXJIISA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ee53UhiGDS
Name (E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-keto-propyl]-5-ethyl-2-keto-4-piperidyl]-3-methoxy-acrylic acid methyl ester
Alternate Name(s) (E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-oxopropyl]-5-ethyl-2-oxo-4-piperidinyl]-3-methoxy-2-propenoic acid methyl ester Methyl (E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-oxidanylidene-propyl]-5-ethyl-2-oxidanylidene-piperidin-4-yl]-3-methoxy-prop-2-enoate Methyl (E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-oxo-propyl]-5-ethyl-2-oxo-4-piperidyl]-3-methoxy-prop-2-enoate Methyl (E)-2-[(4S,5R)-1-[3-(2-aminophenyl)-3-oxopropyl]-5-ethyl-2-oxopiperidin-4-yl]-3-methoxyprop-2-enoate
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Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-4-14-12-23(10-9-19(24)15-7-5-6-8-18(15)22)20(25)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16H,4,9-12,22H2,1-3H3/b17-13+/t14-,16-/m0/s1
InChIKey ZTUZRWXCTQNSDT-LEKKXJIISA-N
Molecular Weight 388.464 g/mol
SMILES Nc1c(C(CCN2C[C@@]([C@@](\C(C(=O)OC)=C/OC)(CC2=O)[H])(CC)[H])=O)cccc1
SPLASH splash10-0002-0920000000-63739c9500252f614af4
Source of Spectrum F-55-6846-5
Wiley ID 837968