Home Carboxys 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-

CAS No.:
66592-87-8
Catalog Number:
AG01CCHV
Molecular Formula:
C16H19N3O6S
Molecular Weight:
381.4036
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥98%
1 week
United States
$108
- +
250mg
≥98%
1 week
United States
$179
- +
500mg
≥98%
1 week
United States
$289
- +
1g
≥98%
1 week
United States
$468
- +
Product Description
Catalog Number:
AG01CCHV
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-
CAS Number:
66592-87-8
Molecular Formula:
C16H19N3O6S
Molecular Weight:
381.4036
MDL Number:
MFCD00865091
IUPAC Name:
(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
InChI:
InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1
InChI Key:
NBFNMSULHIODTC-CYJZLJNKSA-N
SMILES:
O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C.O
UNII:
280111G160
Properties
Complexity:
629  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
381.099g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
381.403g/mol
Monoisotopic Mass:
381.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Properties