Cas no 848778-06-3 ((2S,3S)-3-(1H-Indol-1-ylcarbonyl)-N-[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]-2-oxiranecarboxamide)

(2S,3S)-3-(1H-Indol-1-ylcarbonyl)-N-[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]-2-oxiranecarboxamide structure
848778-06-3 structure
Product Name:(2S,3S)-3-(1H-Indol-1-ylcarbonyl)-N-[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]-2-oxiranecarboxamide
CAS No:848778-06-3
MF:C23H31N3O4
MW:413.509946107864
CID:6625195
Update Time:2024-01-15

(2S,3S)-3-(1H-Indol-1-ylcarbonyl)-N-[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]-2-oxiranecarboxamide Chemical and Physical Properties

Names and Identifiers

    • (2S,3S)-3-(1H-Indol-1-ylcarbonyl)-N-[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]-2-oxiranecarboxamide
    • Inchi: 1S/C23H31N3O4/c1-14(2)9-11-24-21(27)17(13-15(3)4)25-22(28)19-20(30-19)23(29)26-12-10-16-7-5-6-8-18(16)26/h5-8,10,12,14-15,17,19-20H,9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t17-,19-,20-/m0/s1
    • InChI Key: CIZJFOWTCKTVOR-IHPCNDPISA-N
    • SMILES: O1[C@H](C(N2C3=C(C=CC=C3)C=C2)=O)[C@H]1C(N[C@H](C(NCCC(C)C)=O)CC(C)C)=O

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 663.4±55.0 °C(Predicted)
  • pka: 13.28±0.40(Predicted)
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