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(2S)-1-[(2S)-2-[[(2R,3R)-3-carbethoxyethylenimine-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester
SpectraBase Compound ID EDp7UoSkHDS
InChI InChI=1S/C24H33N3O6/c1-4-32-24(31)20-19(26-20)21(28)25-17(13-15(2)3)22(29)27-12-8-11-18(27)23(30)33-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-20,26H,4,8,11-14H2,1-3H3,(H,25,28)/t17-,18-,19+,20+/m0/s1
InChIKey NPUUDVQFAQJYMJ-VNTMZGSJSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H33N3O6
Exact Mass 459.236936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GxidwM4jNd
Name (2S)-1-[(2S)-2-[[(2R,3R)-3-carbethoxyethylenimine-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C24H33N3O6
InChI InChI=1S/C24H33N3O6/c1-4-32-24(31)20-19(26-20)21(28)25-17(13-15(2)3)22(29)27-12-8-11-18(27)23(30)33-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-20,26H,4,8,11-14H2,1-3H3,(H,25,28)/t17-,18-,19+,20+/m0/s1
InChIKey NPUUDVQFAQJYMJ-VNTMZGSJSA-N
Molecular Weight 459.543 g/mol
SMILES N([C@](C(N1[C@](C(=O)OCc2ccccc2)(CCC1)[H])=O)(CC(C)C)[H])C([C@@]1(N[C@]1(C(=O)OCC)[H])[H])=O
SPLASH splash10-004i-0090300000-7c0d6587bf5fa12e7966
Source of Spectrum F2-42-568-16
Synonyms (2S)-1-[(2S)-2-[[[(2R,3R)-3-ethoxycarbonyl-2-aziridinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2S)-1-[(2S)-2-[[(2R,3R)-3-ethoxycarbonylaziridin-2-yl]carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate benzyl (2S)-1-[(2S)-2-[[(2R,3R)-3-ethoxycarbonylaziridine-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate
Wiley ID 1600032