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N-Acetoxymethyl-N-(N-fluorenyl-9-yl-methyloxycarbonyl-L-leucyl)-4-oxo-L-homoalanine Methyl estee
SpectraBase Compound ID A4rMQNamgqh
InChI InChI=1S/C29H34N2O8/c1-18(2)15-25(27(34)31(17-39-19(3)33)26(13-14-32)28(35)37-4)30-29(36)38-16-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,14,18,24-26H,13,15-17H2,1-4H3,(H,30,36)/t25-,26-/m0/s1
InChIKey KHPOCGKPVZMUBW-UIOOFZCWSA-N
Mol Weight 538.6 g/mol
Molecular Formula C29H34N2O8
Exact Mass 538.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsSHL3PZe0c
Name N-Acetoxymethyl-N-(N-fluorenyl-9-yl-methyloxycarbonyl-L-leucyl)-4-oxo-L-homoalanine Methyl estee
Appearance Yellowish gummy solid
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Formula C29H34N2O8
InChI InChI=1S/C29H34N2O8/c1-18(2)15-25(27(34)31(17-39-19(3)33)26(13-14-32)28(35)37-4)30-29(36)38-16-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,14,18,24-26H,13,15-17H2,1-4H3,(H,30,36)/t25-,26-/m0/s1
InChIKey KHPOCGKPVZMUBW-UIOOFZCWSA-N
Ionization Type EI
Molecular Weight 538.597 g/mol
Optical Rotation [a]D = -35.74 (c = 0.15, CHCl3)
Reported Formula C29H34N2O8
SMILES N([C@@](CC(C)C)(C(N([C@@](CC=O)(C(OC)=O)[H])COC(C)=O)=O)[H])C(=O)OCC1c2c(-c3c1cccc3)cccc2
SPLASH splash10-004i-0900000000-c1b646b294d87cadd7a2
Source of Spectrum WO2014125145A1
Wiley ID 1850056