Cas no 80994-53-2 ((6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)
![(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/81000/80994-53-2x500.png)
80994-53-2 structure
Product Name:(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No:80994-53-2
MF:C17H20N10O8S4
MW:620.662896156311
CID:1801931
PubChem ID:9571087
Update Time:2025-04-21
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[[1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-, (6R,7R)-
- SK&F-88070
- 7-((2-Amino-4-thiazolyl)(methoxyimino)acetylamino)-3-(((1-(2-sulfaminoethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
- Skf 88070
- SK&F 88070
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1-(2-(sulfoamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6alpha,7beta(Z)))-
- (6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl)amino)-8-oxo-3-((1-(2-(sulfoamino)ethyl)tetrazol-5-yl)sulfanylmethyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CID 9571087
- 80994-53-2
-
- Inchi： 1S/C17H20N10O8S4/c1-35-23-9(8-6-37-16(18)20-8)12(28)21-10-13(29)27-11(15(30)31)7(4-36-14(10)27)5-38-17-22-24-25-26(17)3-2-19-39(32,33)34/h6,10,14,19H,2-5H2,1H3,(H2,18,20)(H,21,28)(H,30,31)(H,32,33,34)/b23-9-/t10-,14-/m1/s1
- InChI Key： ARWJIPOQKKRGCN-UPRLUYEASA-N
- SMILES： S1CC(CSC2=NN=NN2CCNS(=O)(=O)O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\OC)=O)=O
Computed Properties
- Exact Mass: 620.03484233g/mol
- Monoisotopic Mass: 620.03484233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 39
- Rotatable Bond Count: 12
- Complexity: 1150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 344?2
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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