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2-[(1S,2R)-2-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-phenyl-methyl]-6-keto-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID 8cGF340pB4h
InChI InChI=1S/C30H36N2O5/c1-29(2)36-19-25(28(37-29)21-12-7-5-8-13-21)32(3)30(20-31,22-14-9-6-10-15-22)24-16-11-17-26(33)23(24)18-27(34)35-4/h5-10,12-15,23-25,28H,11,16-19H2,1-4H3/t23-,24+,25-,28-,30-/m0/s1
InChIKey PHZFTKNVAUUEPC-KWDKPLCGSA-N
Mol Weight 504.6 g/mol
Molecular Formula C30H36N2O5
Exact Mass 504.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 215uF3lFpzr
Name 2-[(1S,2R)-2-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-phenyl-methyl]-6-keto-cyclohexyl]acetic acid methyl ester
Alternate Name(s) 2-[(1S,2R)-2-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-phenylmethyl]-6-oxocyclohexyl]acetic acid methyl ester Methyl 2-[(1S,2R)-2-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-phenyl-methyl]-6-oxidanylidene-cyclohexyl]ethanoate Methyl 2-[(1S,2R)-2-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-phenyl-methyl]-6-oxo-cyclohexyl]acetate
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Formula C30H36N2O5
InChI InChI=1S/C30H36N2O5/c1-29(2)36-19-25(28(37-29)21-12-7-5-8-13-21)32(3)30(20-31,22-14-9-6-10-15-22)24-16-11-17-26(33)23(24)18-27(34)35-4/h5-10,12-15,23-25,28H,11,16-19H2,1-4H3/t23-,24+,25-,28-,30-/m0/s1
InChIKey PHZFTKNVAUUEPC-KWDKPLCGSA-N
Molecular Weight 504.627 g/mol
SMILES [C@@](N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])C)([C@]1([C@@](C(=O)CCC1)(CC(=O)OC)[H])[H])(C#N)c1ccccc1
SPLASH splash10-00dl-5922000000-e67d7ba5309d2b388099
Source of Spectrum SO-0-662-4
Wiley ID 873051