5-(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno3,4-dimidazol-4-ylpentanoic acid | 22377-59-9
5-(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno3,4-dimidazol-4-ylpentanoic acid
22377-59-9
C10H16N2O3S
244.31064
名称和标识符
InChIKey |
YBJHBAHKTGYVGT-ZXFLCMHBSA-N |
Inchi |
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m1/s1 |
SMILES |
OC(CCCC[C@H]1SC[C@H]2NC(N[C@@H]12)=O)=O |
别名信息
- 英文别名 -
- 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, (3aR,4R,6aS)-rel-
- (?à)-Biotin
- 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aa,4b,6aa)-
- 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, (3aa,4b,6aa)-(?à)-
- Biotin, (?à)- (8CI)
- DL-Biotin
- 5-(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno3,4-dimidazol-4-ylpentanoic acid
- SBI-0051929.P002
- SDCCGMLS-0066741.P001
- 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid
- KBio2_003273
- 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid, AldrichCPR
- AKOS016344011
- 22879-79-4
- CCG-38885
- MLS000530211
- KBioSS_000705
- Spectrum4_001061
- HMS2092H08
- NSC63865
- KBio1_000311
- (3aR,4R,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
- KBio3_001549
- 57378-70-8
- 22377-59-9
- component of Deca-Vi-Sol
- component of Deca-Vi-Sol (Salt/Mix)
- HMS500P13
- DS-14362
- HMS1921P22
- KBio2_000705
- SCHEMBL59420
- Spectrum3_000665
- SR-01000665783-3
- KBioGR_001382
- (3aR,4S,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
- Q27166951
- Pharmakon1600-01503009
- DivK1c_000311
- NS00005403
- 1217850-77-5
- NCGC00094984-03
- Spectrum5_001139
- 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid, cis-(+)- #
- FT-0601580
- NCGC00094984-04
- NSC-758208
- KBio2_005841
- SY010836
- CHEMBL1527083
- AKOS000121079
- NCGC00094984-02
- 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoicacid
- 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid
- BB 0254198
- SPECTRUM1503009
- NSC758208
- AB00052453_12
- 1H-Thieno[3, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-
- IDI1_000311
- BRD-A36603537-001-12-3
- CHEBI:95156
- dl-Biotin
- EN300-23975
- NINDS_000311
- Spectrum_000225
- BSPBio_002329
- NCGC00094984-01
- BRD-A36603537-001-07-3
- DTXSID00859030
- 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
- 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
- FT-0624460
- 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-
- SB67329
- SR-01000665783
- MLS000736711
- Spectrum2_001510
- SPBio_001559
- SR-01000665783-4
- SMR000135188
- rac Biotin-d4
物化性质
计算特性
精确分子量 |
244.08816355g/mol |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
5 |
同位素质量 |
244.08816355g/mol |
重原子数量 |
16 |
复杂度 |
298 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
3 |
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) |
0.3 |
拓扑分子极性表面积 |
104Ų |
5-(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno3,4-dimidazol-4-ylpentanoic acid推荐生产厂家