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Methyl (2R,7aR)-(2S,7aS)-2-({(2S)-2-[(tert-Butoxycarbonyl)amino-3-phenylpropanoyl}amino)-3-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
SpectraBase Compound ID Cd2zzvBr1qI
InChI InChI=1S/C23H31N3O6/c1-22(2,3)32-21(30)25-16(13-15-9-6-5-7-10-15)18(27)24-17-14-23(20(29)31-4)11-8-12-26(23)19(17)28/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,24,27)(H,25,30)/t16-,17+,23+/m0/s1
InChIKey XPAQOUHLDHQGDT-YGKZAACZSA-N
Mol Weight 445.52 g/mol
Molecular Formula C23H31N3O6
Exact Mass 445.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3eNK0kUji9
Name Methyl (2R,7aR)-(2S,7aS)-2-({(2S)-2-[(tert-Butoxycarbonyl)amino-3-phenylpropanoyl}amino)-3-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
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Formula C23H31N3O6
InChI InChI=1S/C23H31N3O6/c1-22(2,3)32-21(30)25-16(13-15-9-6-5-7-10-15)18(27)24-17-14-23(20(29)31-4)11-8-12-26(23)19(17)28/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,24,27)(H,25,30)/t16-,17+,23+/m0/s1
InChIKey XPAQOUHLDHQGDT-YGKZAACZSA-N
Molecular Weight 445.516 g/mol
SMILES N(C([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])=O)[C@]1(C(N2[C@](C1)(C(=O)OC)CCC2)=O)[H]
SPLASH splash10-0c00-5930000000-2db1eecfc2ae05740c91
Source of Spectrum F-70-864-18
Synonyms (6R,8R)-6-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid methyl ester Methyl (6R,8R)-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate Methyl (6R,8R)-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate Methyl (6R,8R)-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
Wiley ID 1596146