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Biocytin 200mg

CAT: 0628-A19800-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A19800-200Size:200 mg
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CAS Number
576-19-2

Chemical Information

Biocytin

Biocytin is a monocarboxylic acid amide that results from the formal condensation of the carboxylic acid group of biotin with the N6-amino group of L-lysine. It has a role as a mouse metabolite. It is a L-lysine derivative, a monocarboxylic acid amide, an azabicycloalkane, a thiabicycloalkane, a member of ureas and a non-proteinogenic L-alpha-amino acid. It is functionally related to a biotin. It is a tautomer of a biocytin zwitterion.

CAS Number576-19-2
PubChem CID83814
IUPAC Name(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
Molecular FormulaC16H28N4O4S
Molecular Weight372.5
XLogP-2.4
Topological Polar Surface Area159
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity491
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2
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
InChIKey
BAQMYDQNMFBZNA-MNXVOIDGSA-N
Chemical Structure
2D Structure
2D structure of Biocytin
CAS: 576-19-2
CID: 83814
Formula: C16H28N4O4S
MW: 372.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass372.18312656
Monoisotopic Mass372.18312656
Topological Polar Surface Area159 Ų
Heavy Atom Count25
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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