Cas no 41961-03-9 (N-[(Phenylmethoxy)carbonyl]glycyl-L-threonine methyl ester)

N-[(Phenylmethoxy)carbonyl]glycyl-L-threonine methyl ester structure
41961-03-9 structure
Product Name:N-[(Phenylmethoxy)carbonyl]glycyl-L-threonine methyl ester
CAS No:41961-03-9
MF:C15H20N2O6
MW:324.329104423523
CID:6642915
PubChem ID:11529901
Update Time:2024-02-02

N-[(Phenylmethoxy)carbonyl]glycyl-L-threonine methyl ester Chemical and Physical Properties

Names and Identifiers

    • N-[(Phenylmethoxy)carbonyl]glycyl-L-threonine methyl ester
    • SCHEMBL9899019
    • DTXSID901193499
    • 41961-03-9
    • Inchi: 1S/C15H20N2O6/c1-10(18)13(14(20)22-2)17-12(19)8-16-15(21)23-9-11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,21)(H,17,19)/t10-,13+/m1/s1
    • InChI Key: FUONNQHEMRALBH-MFKMUULPSA-N
    • SMILES: O[C@H](C)[C@@H](C(=O)OC)NC(CNC(=O)OCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 324.13213636g/mol
  • Monoisotopic Mass: 324.13213636g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 409
  • 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
  • XLogP3: 0.5
  • Topological Polar Surface Area: 114?2
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