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  2. 576-19-2
(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid | 576-19-2

Product name：(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid

CAS No：576-19-2
MF：C16H28N4O4S
MW：372.4829
MDL：MFCD00077319
CID：38432
PubChem ID：24891762
Inquiry Supply
Names and Identifiers
  • Biocytin
  • N6-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-lysine
  • (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoic acid
  • Biocytin​
  • H-L-Lys(Biotinyl)-OH
  • H-Lys(biotinyl)-OH
  • H-Lys（biotinyl）-OH（Biocytin）
  • N'-Biotinyl-L-lysine
  • (S)-(-)-Pindolol
  • Bct,Nε-(+)-Biotinyl-L-lysine
  • Biotinyl-L-lysine
  • N6-[5-((3aS)-2-oxo-(3ar,6ac)-hexahydro-thieno[3,4-d]imidazol-4t-yl)-pentanoyl]-L-lysine
  • N6-[5-((3aS)-2-oxo-(3ar,6ac)-hexahydro-thieno[3,4-d]imidazol-4t-yl)-valeryl]-L-lysine
  • N6-D-Biotinyl-L-lysine
  • Ne-Biotynyl-L-lysine
  • Bct
  • Nε-(+)-Biotinyl-L-lysine
  • (+)-Biocytin
  • C16H28N4O4S
  • epsilon-N-Biotinyl-L-lysine
  • G6D6147J22
  • n6-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysine
  • (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-2-aminohexanoic acid
  • biotinyllysin
  • N6-(
  • (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid
  • N6-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-Lysine
  • .epsilon.-N-Biotinyl-L-lysine
  • AKOS015915827
  • HY-101884
  • DTXSID30973172
  • DS-5744
  • CHEBI:27870
  • Biocytin (epsilon
  • -Biotinoyl-L-lysine)
  • (3aS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysine
  • N6-delta-Biotinyl-L-lysine
  • (S)-2-amino-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoic acid
  • BIOCYTIN [MI]
  • Q864247
  • L-Lysine, N6-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-, (3aS-(3aalpha,4beta,6aalpha))-
  • N(epsilon)-biotinyl-L-lysine
  • SCHEMBL305707
  • N-biotinyl-L-lysine
  • Biocytin, >=98% (TLC)
  • L-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-
  • 576-19-2
  • HB5035
  • N6-BIOTINYLLYSINE
  • N(6)-D-biotinyl-L-lysine
  • BAQMYDQNMFBZNA-MNXVOIDGSA-N
  • UNII-G6D6147J22
  • s9886
  • A869630
  • MFCD00077319
  • N-epsilon-Biotin-L-lysine
  • N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
  • N6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)-L-lysine
  • N(SUP 6)-(5-((3AS,4S,6AR)-HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-1-OXOPENTYL)-L-LYSINE
  • BP-23273
  • epsilon-N-biotinyllysine
  • L-Lysine, N6-(5-((3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-
  • N(6)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
  • CS-7587
  • MDL：MFCD00077319
  • InChIKey：BAQMYDQNMFBZNA-MNXVOIDGSA-N
  • Inchi：1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
  • SMILES：S1C([H])([H])[C@@]2([H])[C@@]([H])([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])=O)N([H])C(N2[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 372.18300
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 11
  • Monoisotopic Mass: 372.18312656g/mol
  • Heavy Atom Count: 25
  • Complexity: 491
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -2.4
  • Tautomer Count: 6
  • Surface Charge: 0
  • Topological Polar Surface Area: 159

Experimental Properties

  • LogP: 2.15940
  • PSA: 158.85000
  • Merck: 13,1227
  • Boiling Point: 748.0±60.0 °C at 760 mmHg
  • Melting Point: ~245 °C (dec.) (lit.)
  • Vapor Pressure: 0.0±5.4 mmHg at 25°C
  • Flash Point: 406.2±32.9 °C
  • Color/Form: Crystallization. It is hydrolyzed into biotin and L-Lysine in case of strong acid.
  • Solubility: It is easily soluble in water, glacial acetic acid, slightly soluble in ethanol, and almost insoluble in acetone and most other organic solvents.
  • Specific Rotation: D25 +53° (c = 1.05 in 0.1N NaOH)
  • Optical Activity: [α]20/D +53°, c = 1.05% in 0.1 M NaOH(lit.)
  • Density: 1.234
Security Information
  • WGK Germany：3
  • Safety Instruction：H303+H313+H333
  • Hazardous Material transportation number：NONH for all modes of transport
  • Hazard Statement：H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
  • Warning Statement：P264+P280+P305+P351+P338+P337+P313
  • Storage Condition：Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Signal Word：warning
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