chempirical

Biocytin

C16H28N4O4SCAS 576-19-2372.48 g/mol

Open in Covalent MOL file
H2NNHOSNHOHNOHO
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C16H28N4O4S
Molar mass
372.48 g/mol
Exact mass
372.1831 Da
Melting point
230–240 °C (decomposes)
logP
1.46Crippen estimate
Polar surface area
140.5 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
11
Stereocentres
S, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
576-19-2
SMILES
N[C@@H](CCCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)C(=O)O
InChIKey
BAQMYDQNMFBZNA-MNXVOIDGSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • L-Lysine, N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-
  • Lysine, N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)valeryl]-, L-
  • L-Lysine, N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aα,4β,6aα)]-
  • 1H-Thieno[3,4-d]imidazole, L-lysine deriv.
  • N6-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-lysine
  • ε-N-Biotinyl-L-lysine
  • (+)-Biocytin
  • d-Biocytin

Work with Biocytin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-[5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-yl)-pentanoylamino]-hexanoic acid72040-64-372 % similar Biotinamidocaproyl hydrazide109276-34-871 % similar NHS-LC-Biotin72040-63-265 % similar Biotin-PEG1-NH2811442-85-065 % similar Biotin peg2 amine138529-46-163 % similar Biotin hydrazide66640-86-661 % similar Biotin22879-79-458 % similar Biotin58-85-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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