Cas no 834910-11-1 (L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-)

L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl- structure
834910-11-1 structure
Product Name:L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-
CAS No:834910-11-1
MF:C16H31N3O4
MW:329.435044527054
CID:670093
PubChem ID:12151195
Update Time:2025-04-19

L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl- Chemical and Physical Properties

Names and Identifiers

    • L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-
    • tert-butyl N-[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
    • 834910-11-1
    • DTXSID70478631
    • Inchi: 1S/C16H31N3O4/c1-8-10(4)12(19-15(22)23-16(5,6)7)14(21)18-11(9(2)3)13(17)20/h9-12H,8H2,1-7H3,(H2,17,20)(H,18,21)(H,19,22)/t10-,11-,12-/m0/s1
    • InChI Key: JSGJRFCFMGJNOM-SRVKXCTJSA-N
    • SMILES: O(C(N[C@H](C(N[C@H](C(N)=O)C(C)C)=O)[C@@H](C)CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 329.23145648g/mol
  • Monoisotopic Mass: 329.23145648g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 111?2
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