Cas no 94899-85-1 ((S)-2-formamido-3-methylbutyl formyl-L-valinate)

(S)-2-formamido-3-methylbutyl formyl-L-valinate structure
94899-85-1 structure
Product Name:(S)-2-formamido-3-methylbutyl formyl-L-valinate
CAS No:94899-85-1
MF:C12H22N2O4
MW:258.31
CID:812358
PubChem ID:101305698
Update Time:2024-03-01

(S)-2-formamido-3-methylbutyl formyl-L-valinate Chemical and Physical Properties

Names and Identifiers

    • L-Valine, N-formyl-,(2S)-2-(formylamino)-3-methylbutyl ester
    • (-)-N-Formyl-L-valine [(S)-2-formylamino-3-methylbutyl] ester
    • Valinotricin
    • 4MFE79X6DF
    • (?)-Valinotricin
    • Q27896647
    • L-Valine, N-formyl-, 2-(formylamino)-3-methylbutyl ester, (S)-
    • L-Valine, N-formyl-, (2S)-2-(formylamino)-3-methylbutyl ester
    • ((2S)-2-Formamido-3-methyl-butyl) (2S)-2-formamido-3-methyl-butanoate
    • CID 101305698
    • (-)-Valinotricin
    • AKOS040754334
    • HY-129319
    • CS-0104784
    • UNII-4MFE79X6DF
    • 94899-85-1
    • (S)-2-formamido-3-methylbutyl formyl-L-valinate
    • Inchi: 1S/C12H22N2O4/c1-8(2)10(13-6-15)5-18-12(17)11(9(3)4)14-7-16/h6-11H,5H2,1-4H3,(H,13,15)(H,14,16)/t10-,11+/m1/s1
    • InChI Key: OFXUPDJWFBSIGG-MNOVXSKESA-N
    • SMILES: O(C([C@H](C(C)C)NC=O)=O)C[C@H](C(C)C)NC=O

Computed Properties

  • Exact Mass: 258.15795719g/mol
  • Monoisotopic Mass: 258.15795719g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 279
  • 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
  • Topological Polar Surface Area: 84.5
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: Solid powder

(S)-2-formamido-3-methylbutyl formyl-L-valinate Security Information

  • Signal Word:Warning
  • Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
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