5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-, (6R,7R)- | 27726-35-8
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-, (6R,7R)-
27726-35-8
C16H17N3O4S
347.38888
名称和标识符
InChIKey |
ZAIPMKNFIOOWCQ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23) |
SMILES |
C1=CC=C(C(C(NC2C(=O)N3C(=C(CSC23)C)C(=O)O)=O)N)C=C1 |
别名信息
- 英文别名 -
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-, (6R,7R)-
- 7-(α-Amino-DL-phenylacetamido)-3-deacetoxycephalosporanic acid
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-,[6R-(6a,7b)]-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, (6R,7R)- (9CI)
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo- (8CI)
- 7-(a-Amino-DL-phenylacetamido)-3-deacetoxycephalosporanic acid
- KBio2_004441
- NCGC00093706-01
- KBio3_001624
- Spectrum4_000091
- Lopac0_000244
- AB00052261_02
- KBioGR_000382
- SR-01000075762
- NCGC00093706-05
- NCGC00093706-07
- Spectrum5_001256
- NSC758162
- Pharmakon1600-01502028
- KBioSS_001873
- SPBio_001381
- SCHEMBL11579781
- KBio2_007009
- NCGC00260929-01
- **********
- BSPBio_002404
- SpecPlus_000907
- NCGC00093706-04
- EU-0100244
- HMS2092P05
- SR-01000075762-1
- CCG-39199
- NCGC00093706-03
- DTXSID00276728
- SBI-0050232.P003
- LP00244
- Spectrum2_001461
- SR-01000075762-3
- KBio1_001947
- Spectrum_001393
- Spectrum3_000762
- (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- HMS1921F10
- Tox21_500244
- KBio2_001873
- SPECTRUM1502028
- HMS3260B10
- DivK1c_007003
- NCGC00093706-02
- AKOS030498830
- SDCCGSBI-0050232.P004
- 27726-35-8
- C 4895
物化性质
实验特性
计算特性
精确分子量 |
347.09411 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
4 |
同位素质量 |
347.094 |
重原子数量 |
24 |
复杂度 |
600 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
不确定原子立构中心数量 |
1 |
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) |
0.6 |
拓扑分子极性表面积 |
138Ų |