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[2-(<R>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - benzyl ester
SpectraBase Compound ID 6BfH1VTh1gV
InChI InChI=1S/C31H38N4O6/c1-20(2)28(33-26(36)18-35-25(17-27(35)37)23-13-8-5-9-14-23)30(39)34-16-10-15-24(34)29(38)32-21(3)31(40)41-19-22-11-6-4-7-12-22/h4-9,11-14,20-21,24-25,28H,10,15-19H2,1-3H3,(H,32,38)(H,33,36)/t21-,24-,25+,28-/m0/s1
InChIKey NRJDPBHQOAOZJQ-WVZMWUMTSA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H38N4O6
Exact Mass 562.279135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RdNExF4tTn
Name [2-(-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38N4O6
InChI InChI=1S/C31H38N4O6/c1-20(2)28(33-26(36)18-35-25(17-27(35)37)23-13-8-5-9-14-23)30(39)34-16-10-15-24(34)29(38)32-21(3)31(40)41-19-22-11-6-4-7-12-22/h4-9,11-14,20-21,24-25,28H,10,15-19H2,1-3H3,(H,32,38)(H,33,36)/t21-,24-,25+,28-/m0/s1
InChIKey NRJDPBHQOAOZJQ-WVZMWUMTSA-N
Molecular Weight 562.667 g/mol
SMILES N([C@](C(N1[C@](C(N[C@](C(OCc2ccccc2)=O)(C)[H])=O)(CCC1)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@@]1(c1ccccc1)[H])=O
SPLASH splash10-00kf-9550000000-d42085e97c6befbda16d
Source of Spectrum D8-333-250-31
Wiley ID 1516853