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(2S)-2-(benzyloxycarbonylamino)-3-methyl-5-methylene-adipic acid O1-tert-butyl ester O6-ethyl ester
SpectraBase Compound ID FUWgjS6DI4D
InChI InChI=1S/C22H31NO6/c1-7-27-19(24)16(3)13-15(2)18(20(25)29-22(4,5)6)23-21(26)28-14-17-11-9-8-10-12-17/h8-12,15,18H,3,7,13-14H2,1-2,4-6H3,(H,23,26)/t15?,18-/m0/s1
InChIKey JBYHPGHJFARJAP-PKHIMPSTSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyaOvko4xKN
Name (2S)-2-(benzyloxycarbonylamino)-3-methyl-5-methylene-adipic acid O1-tert-butyl ester O6-ethyl ester
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Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-7-27-19(24)16(3)13-15(2)18(20(25)29-22(4,5)6)23-21(26)28-14-17-11-9-8-10-12-17/h8-12,15,18H,3,7,13-14H2,1-2,4-6H3,(H,23,26)/t15?,18-/m0/s1
InChIKey JBYHPGHJFARJAP-PKHIMPSTSA-N
Molecular Weight 405.491 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(OC(C)(C)C)=O)(C(CC(C(=O)OCC)=C)C)[H]
SPLASH splash10-0006-9031000000-4e3f21578da00810c127
Source of Spectrum K-2002-2849-15
Synonyms (2S)-3-methyl-5-methylene-2-(phenylmethoxycarbonylamino)hexanedioic acid O1-tert-butyl ester O6-ethyl ester 1-O-tert-butyl 6-O-ethyl (2S)-3-methyl-5-methylidene-2-(phenylmethoxycarbonylamino)hexanedioate O1-tert-butyl O6-ethyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-5-methylene-hexanedioate O1-tert-butyl O6-ethyl (2S)-3-methyl-5-methylidene-2-(phenylmethoxycarbonylamino)hexanedioate
Wiley ID 1613351