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(3R,4R,5S)-2-[-1-Benzoylamino-2-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-1-azabicyclo[3.1.0]hexane
SpectraBase Compound ID 7mXSRDb4kMZ
InChI InChI=1S/C31H33N3O4/c1-21(2)32-31(36)26(33-30(35)24-16-10-5-11-17-24)27-29(38-20-23-14-8-4-9-15-23)28(25-18-34(25)27)37-19-22-12-6-3-7-13-22/h3-17,21,25,28-29H,18-20H2,1-2H3,(H,32,36)(H,33,35)/b27-26-/t25-,28+,29+,34?/m0/s1
InChIKey XIXMTBZHWPWIDV-KGAHQGKSSA-N
Mol Weight 511.6 g/mol
Molecular Formula C31H33N3O4
Exact Mass 511.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jiiQ8VvxEh
Name (3R,4R,5S)-2-[-1-Benzoylamino-2-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-1-azabicyclo[3.1.0]hexane
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Formula C31H33N3O4
InChI InChI=1S/C31H33N3O4/c1-21(2)32-31(36)26(33-30(35)24-16-10-5-11-17-24)27-29(38-20-23-14-8-4-9-15-23)28(25-18-34(25)27)37-19-22-12-6-3-7-13-22/h3-17,21,25,28-29H,18-20H2,1-2H3,(H,32,36)(H,33,35)/b27-26-/t25-,28+,29+,34?/m0/s1
InChIKey XIXMTBZHWPWIDV-KGAHQGKSSA-N
Molecular Weight 511.622 g/mol
SMILES N(C(\C(=C/1N2[C@@]([C@@](OCc3ccccc3)([C@@]1(OCc1ccccc1)[H])[H])([H])C2)NC(=O)c1ccccc1)=O)C(C)C
SPLASH splash10-052f-9800100000-5759ef0b47808191a719
Source of Spectrum F-59-3056-4a
Wiley ID 1677797