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(2R,1'S,3S,4S)-N-(.alpha.)-Boc-3,4-(dibenzylaminomethano)proline
SpectraBase Compound ID JOrSvzaA2lk
InChI InChI=1S/C25H30N2O4/c1-25(2,3)31-24(30)27-16-19-20(22(27)23(28)29)21(19)26(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19-22H,14-16H2,1-3H3,(H,28,29)/t19-,20+,21+,22-/m1/s1
InChIKey KAZNDHIKTQKTNU-CLAROIROSA-N
Mol Weight 422.53 g/mol
Molecular Formula C25H30N2O4
Exact Mass 422.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 962V60WCSo3
Name (2R,1'S,3S,4S)-N-(.alpha.)-Boc-3,4-(dibenzylaminomethano)proline
Alternate Name(s) (1S,2R,5S,6S)-6-[bis(phenylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (1S,2R,5S,6S)-6-(dibenzylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (1S,2R,5S,6S)-6-[bis(phenylmethyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
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Formula C25H30N2O4
InChI InChI=1S/C25H30N2O4/c1-25(2,3)31-24(30)27-16-19-20(22(27)23(28)29)21(19)26(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19-22H,14-16H2,1-3H3,(H,28,29)/t19-,20+,21+,22-/m1/s1
InChIKey KAZNDHIKTQKTNU-CLAROIROSA-N
Molecular Weight 422.525 g/mol
SMILES OC([C@@]1(N(C(OC(C)(C)C)=O)C[C@@]2([C@]1([C@]2(N(Cc1ccccc1)Cc1ccccc1)[H])[H])[H])[H])=O
SPLASH splash10-052f-9220000000-2d77da5d54750ad5325f
Source of Spectrum K1-0-4447-19
Wiley ID 1589567