Cas no 117591-20-5 (Calpeptin)

Calpeptin structure
Calpeptin structure
Product Name:Calpeptin
CAS No:117591-20-5
MF:C20H30N2O4
MW:362.463205814362
MDL:MFCD00155623
CID:167143
Update Time:2025-04-19

Calpeptin Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,N-[(1S)-1-[[[(1S)-1-formylpentyl]amino]carbonyl]-3-methylbutyl]-, phenylmethylester
    • CALPEPTIN
    • Calpeptin,N-Benzyloxycarbonyl-L-leucylnorleucinal
    • Carbamic acid,N-[(1S)-1-[[[(1S)-1-formylpentyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyles...
    • BENZYLOXYCARBONYLDIPEPTIDYL ALDEHYDE
    • BENZYLOXYCARBONYLLEUCYL-NORLEUCINAL
    • CalpeptinN-Benzyloxycarbonyl-L-leucyl-norleucinal
    • N-benzyloxycarbonyl-L-leucyl-L-norleucinal
    • N-Benzyloxycarbonyl-L-leucylnorieucinal Z-Leu-Nle-CHO
    • N-BENZYLOXYCARBONYL-L-LEUCYLNORLEUCINAL
    • N-CBZ-L-LEUCYL-NORLEUCINAL
    • Z-LEU-NLE-CHO
    • Z-Leu-Nle-H
    • Z-LEU-NLE-OH
    • Z-LEU-NORLEUCINAL
    • N-Benzyloxycarbonyl-L-leucylnorieucinal
    • N-[N-[(Phenylmethoxy)carbonyl]-L-leucyl]-L-norleucinal
    • Calpeptin,95%
    • Calpeptin
    • MDL: MFCD00155623
    • Inchi: 1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
    • InChI Key: PGGUOGKHUUUWAF-ROUUACIJSA-N
    • SMILES: O=C([C@H](CC(C)C)NC(=O)OCC1C=CC=CC=1)N[C@H](C=O)CCCC

Computed Properties

  • Exact Mass: 362.22100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 14
  • Complexity: 434
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 3.9
  • Topological Polar Surface Area: 84.5

Experimental Properties

  • Color/Form: Odourless white powder
  • Density: 1.075±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 60-75 °C
  • Boiling Point: 494.07°C (rough estimate)
  • Refractive Index: 1.6800 (estimate)
  • Solubility: Insuluble (9.8E-3 g/L) (25 oC),
  • PSA: 84.50000
  • LogP: 3.98320
  • Solubility: Not determined

Calpeptin Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S24/25
  • Safety Term:S24/25
  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Calpeptin Pricemore >>

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