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(E)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro[3-((S)-2-N-tert-butoxycarbonyl)pyrrolidinyl]-L-alanine Methyl Ester

View entire compound with spectra: 1 MS (GC)

(E)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro[3-((S)-2-N-tert-butoxycarbonyl)pyrrolidinyl]-L-alanine Methyl Ester
SpectraBase Compound ID 1i8zmGMuYEf
InChI InChI=1S/C30H37N3O7/c1-30(2,3)40-29(37)33-17-11-16-23(33)18-24(28(36)38-4)31-27(35)25(20-39-19-21-12-7-5-8-13-21)32-26(34)22-14-9-6-10-15-22/h5-10,12-15,18,23,25H,11,16-17,19-20H2,1-4H3,(H,31,35)(H,32,34)/b24-18+/t23-,25-/m0/s1
InChIKey OPQACDVDJXSOKF-XLIXZDQVSA-N
Mol Weight 551.6 g/mol
Molecular Formula C30H37N3O7
Exact Mass 551.263151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BM5exz36mD
Name (E)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro[3-((S)-2-N-tert-butoxycarbonyl)pyrrolidinyl]-L-alanine Methyl Ester
Appearance Syrup
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Exact Mass 551.263150536 u
Formula C30H37N3O7
InChI InChI=1S/C30H37N3O7/c1-30(2,3)40-29(37)33-17-11-16-23(33)18-24(28(36)38-4)31-27(35)25(20-39-19-21-12-7-5-8-13-21)32-26(34)22-14-9-6-10-15-22/h5-10,12-15,18,23,25H,11,16-17,19-20H2,1-4H3,(H,31,35)(H,32,34)/b24-18+/t23-,25-/m0/s1
InChIKey OPQACDVDJXSOKF-XLIXZDQVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703758
Molecular Weight 551.640 g/mol
Optical Rotation [a]D = -12 (c = 0.14, CHCl3)
Quality 6
Reported Formula C30H37N3O7
SMILES N(C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)\C(=C\[C@]1(N(CCC1)C(=O)OC(C)(C)C)[H])C(OC)=O
SPLASH splash10-0a4i-0900000000-3b3b751b5b26d5ba4273
Source of Spectrum QE-24-SM10-18g-E (DOI: 10.1002/chem.201703758)
Wiley ID 1901488