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Methyl (2S)-N-(Benzyloxycarbonylamino)-N-[2S)-N-chloroacetylprolyl]phenylalaninate
SpectraBase Compound ID ImrnzKPMikO
InChI InChI=1S/C25H28ClN3O6/c1-34-24(32)21(15-18-9-4-2-5-10-18)29(23(31)20-13-8-14-28(20)22(30)16-26)27-25(33)35-17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3,(H,27,33)/t20-,21-/m0/s1
InChIKey SACYUHACAHFBFM-SFTDATJTSA-N
Mol Weight 501.97 g/mol
Molecular Formula C25H28ClN3O6
Exact Mass 501.166663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BWgYyedHiY
Name Methyl (2S)-N-(Benzyloxycarbonylamino)-N-[2S)-N-chloroacetylprolyl]phenylalaninate
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Formula C25H28ClN3O6
InChI InChI=1S/C25H28ClN3O6/c1-34-24(32)21(15-18-9-4-2-5-10-18)29(23(31)20-13-8-14-28(20)22(30)16-26)27-25(33)35-17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3,(H,27,33)/t20-,21-/m0/s1
InChIKey SACYUHACAHFBFM-SFTDATJTSA-N
Molecular Weight 501.967 g/mol
SMILES N(N(C([C@]1(N(C(=O)CCl)CCC1)[H])=O)[C@](C(=O)OC)(Cc1ccccc1)[H])C(=O)OCc1ccccc1
SPLASH splash10-00dm-8911000000-7ea0fc0f4c20818d7745
Source of Spectrum KC-0-2310-36
Synonyms benzyl 2-[(1S)-1-benzyl-2-methoxy-2-oxoethyl]-2-{[(2S)-1-(chloroacetyl)pyrrolidinyl]carbonyl}hydrazinecarboxylate
Wiley ID 823034