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(E)-Cbz-Val-Aba-Hpp-Ome
SpectraBase Compound ID LOSjDIEY7Vj
InChI InChI=1S/C27H32N2O7/c1-5-21(25(31)36-22(26(32)34-4)16-19-12-8-6-9-13-19)28-24(30)23(18(2)3)29-27(33)35-17-20-14-10-7-11-15-20/h5-15,18,22-23H,16-17H2,1-4H3,(H,28,30)(H,29,33)/b21-5+/t22-,23-/m0/s1
InChIKey FEZFJSRGIWGJLH-UPQNDBNDSA-N
Mol Weight 496.6 g/mol
Molecular Formula C27H32N2O7
Exact Mass 496.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELSPjkPp8iC
Name (E)-Cbz-Val-Aba-Hpp-Ome
Alternate Name(s) (E)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-butenoic acid [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl] ester [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl] (E)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]but-2-enoate [(1S)-1-benzyl-2-methoxy-2-oxo-ethyl] (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]but-2-enoate [(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl] (E)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]but-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C27H32N2O7
InChI InChI=1S/C27H32N2O7/c1-5-21(25(31)36-22(26(32)34-4)16-19-12-8-6-9-13-19)28-24(30)23(18(2)3)29-27(33)35-17-20-14-10-7-11-15-20/h5-15,18,22-23H,16-17H2,1-4H3,(H,28,30)(H,29,33)/b21-5+/t22-,23-/m0/s1
InChIKey FEZFJSRGIWGJLH-UPQNDBNDSA-N
Molecular Weight 496.560 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(C(C)C)[H])=O)\C(C(O[C@](C(=O)OC)(Cc1ccccc1)[H])=O)=C\C
SPLASH splash10-0006-9000000000-2d541df2c328d7e0316e
Source of Spectrum J-64-1665-22
Wiley ID 1529487