Biocytin

HCID 83814CAS 576-19-2

基本情報

標準SMILES: N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O
InChIKey: BAQMYDQNMFBZNA-MNXVOIDGSA-N
分子式: C16H28N4O4S
平均分子量: 372.5 g/mol
単同位体質量: 372.18312656

名称と識別子

優先名称: Biocytin
IUPAC: (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

名称と別名

Biocytin576-19-2Biotinyl-L-lysineepsilon-N-Biotinyl-L-lysineG6D6147J22CHEBI:27870DTXSID30973172(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(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-2-aminohexanoic acid(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(2S)-6-(5-((3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoylamino)-2-azaniumylhexanoate(2S)-6-(5-((3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)pentanamido)-2-aminohexanoic acid

名称をさらに表示

RefChem:119845DTXCID401400629H-Lys(biotinyl)-OHN'-Biotinyl-L-lysineMFCD00077319N6-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-LysineL-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-C16H28N4O4S

データベース識別子

CAS: 576-19-2
PubChem CID: 83814
ChEBI: CHEBI:27870
UNII: G6D6147J22
Nikkaji: J9.428E

物性

構造計算による物性

XLogP: -2.4
極性表面積: 159 Å²
水素結合供与体数: 5
水素結合受容体数: 6
回転可能結合数: 11
重原子数: 25
形式電荷: 0
複雑度: 491