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N-[4-[[[(Benzyloxy)carbonyl]methyl]amino]benzoyl]-(.alpha.S,.gamma.S)-.gamma.-fluoroglutamic acid .alpha.,.gamma.-Di-tert-butyl Ester
SpectraBase Compound ID L3wuxS2PQwG
InChI InChI=1S/C29H37FN2O7/c1-28(2,3)38-26(35)22(30)16-23(27(36)39-29(4,5)6)32-25(34)20-12-14-21(15-13-20)31-17-24(33)37-18-19-10-8-7-9-11-19/h7-15,22-23,31H,16-18H2,1-6H3,(H,32,34)/t22-,23-/m0/s1
InChIKey RISCZNNWCAACHB-GOTSBHOMSA-N
Mol Weight 544.6 g/mol
Molecular Formula C29H37FN2O7
Exact Mass 544.25848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9h3UKGppCaM
Name N-[4-[[[(Benzyloxy)carbonyl]methyl]amino]benzoyl]-(.alpha.S,.gamma.S)-.gamma.-fluoroglutamic acid .alpha.,.gamma.-Di-tert-butyl Ester
Alternate Name(s) di(tert-butyl) (2S,4S)-2-[(4-{[2-(benzyloxy)-2-oxoethyl]amino}benzoyl)amino]-4-fluoropentanedioate
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Formula C29H37FN2O7
InChI InChI=1S/C29H37FN2O7/c1-28(2,3)38-26(35)22(30)16-23(27(36)39-29(4,5)6)32-25(34)20-12-14-21(15-13-20)31-17-24(33)37-18-19-10-8-7-9-11-19/h7-15,22-23,31H,16-18H2,1-6H3,(H,32,34)/t22-,23-/m0/s1
InChIKey RISCZNNWCAACHB-GOTSBHOMSA-N
Molecular Weight 544.620 g/mol
SMILES N(C(c1ccc(NCC(=O)OCc2ccccc2)cc1)=O)[C@](C(OC(C)(C)C)=O)(C[C@@](C(OC(C)(C)C)=O)(F)[H])[H]
SPLASH splash10-000i-0009630000-9307fa8824f51829d703
Source of Spectrum E1-39-62-8
Wiley ID 1598652