Cas no 130622-07-0 ((2r)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) Ethylsulfanyl]propanoic Acid)

(2r)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) Ethylsulfanyl]propanoic Acid structure
130622-07-0 structure
Product Name:(2r)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) Ethylsulfanyl]propanoic Acid
CAS No:130622-07-0
MF:C15H28N2O6S
MW:364.45762348175
CID:1226182
PubChem ID:46737364
Update Time:2025-04-20

(2r)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) Ethylsulfanyl]propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • (2R)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) ethylsulfanyl]propanoic acid
    • Di-Boc-S-(2-aminoethyl)-L-cysteine
    • (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propanoic acid
    • 130622-07-0
    • DTXSID301119972
    • 1-(1,1-Dimethylethyl) (3R)-3-carboxy-11,11-dimethyl-9-oxo-10-oxa-5-thia-2,8-diazadodecanoate
    • 10-Oxa-5-thia-2,8-diazadodecanoic acid,3-carboxy-11,11-dimethyl-9-oxo-, 1-(1,1-dimethylethyl) ester, (3R)-
    • SCHEMBL2191384
    • (2r)-2-(tert-butoxycarbonylamino)-3-[2-(tert-butoxycarbonylamino) Ethylsulfanyl]propanoic Acid
    • MDL: MFCD12547716
    • Inchi: 1S/C15H28N2O6S/c1-14(2,3)22-12(20)16-7-8-24-9-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1
    • InChI Key: IEQFHDBZITZXMZ-JTQLQIEISA-N
    • SMILES: S(CCNC(=O)OC(C)(C)C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 364.16694
  • Monoisotopic Mass: 364.16680779g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 13
  • Complexity: 442
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 139?2

Experimental Properties

  • PSA: 113.96
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