生物胞素 | 576-19-2
中文名称:
生物胞素
英文名称:
(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
分子式:
C1 6 H2 8 N4 O4 S
分子量:
372.4829
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:生物胞素结构式
名称和标识符
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
别名信息
- 英文别名 -
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
物化性质
实验特性
LogP
2.15940
PSA
158.85000
Merck
13,1227
沸点
748.0±60.0 °C at 760 mmHg
熔点
~245 °C (dec.) (lit.)
蒸气压
0.0±5.4 mmHg at 25°C
闪点
406.2±32.9 °C
颜色与性状
结晶。遇强酸水解成生物素和L-赖氨酸。
溶解性
易溶于水、冰乙酸,微溶于乙醇,几乎不溶于丙酮和多数其他有机溶剂。
比旋光度
D25 +53° (c = 1.05 in 0.1N NaOH)
光学活性
[α]20/D +53°, c = 1.05% in 0.1 M NaOH(lit.)
密度
1.234
计算特性
精确分子量
372.18300
氢键供体数量
5
氢键受体数量
6
可旋转化学键数量
11
同位素质量
372.18312656g/mol
重原子数量
25
复杂度
491
同位素原子数量
0
确定原子立构中心数量
4
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-2.4
互变异构体数量
6
表面电荷
0
拓扑分子极性表面积
159
参考资料
Reaxys RN
Beilstein
97197
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