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(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carbomethoxy-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SpectraBase Compound ID K99Xk0nJwB2
InChI InChI=1S/C22H30N2O5/c1-14(20(25)24-18-10-6-9-16(18)13-19(24)21(26)27)23-17(22(28)29-2)12-11-15-7-4-3-5-8-15/h3-5,7-8,14,16-19,23H,6,9-13H2,1-2H3,(H,26,27)/t14-,16-,17-,18-,19-/m0/s1
InChIKey DBAQBRAQKYAQEO-GBBGEASQSA-N
Mol Weight 402.49 g/mol
Molecular Formula C22H30N2O5
Exact Mass 402.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98xpkAoOoWZ
Name (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carbomethoxy-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
Alternate Name(s) (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-methoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
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Formula C22H30N2O5
InChI InChI=1S/C22H30N2O5/c1-14(20(25)24-18-10-6-9-16(18)13-19(24)21(26)27)23-17(22(28)29-2)12-11-15-7-4-3-5-8-15/h3-5,7-8,14,16-19,23H,6,9-13H2,1-2H3,(H,26,27)/t14-,16-,17-,18-,19-/m0/s1
InChIKey DBAQBRAQKYAQEO-GBBGEASQSA-N
Molecular Weight 402.491 g/mol
SMILES N([C@@](CCc1ccccc1)(C(OC)=O)[H])[C@](C(N1[C@]2(CCC[C@]2(C[C@]1(C(O)=O)[H])[H])[H])=O)(C)[H]
SPLASH splash10-00kf-9730000000-01cc4b50e178c12fb030
Wiley ID 1508187