Home Carboxys (6S,7R)-7-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6S,7R)-7-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS No.:
92665-29-7
Catalog Number:
AG00629I
Molecular Formula:
C18H19N3O5S
Molecular Weight:
389.4256
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$58
- +
25mg
95%
In Stock USA
United States
$103
- +
100mg
95%
In Stock USA
United States
$186
- +
1g
95%
In Stock USA
United States
$498
- +
Product Description
Catalog Number:
AG00629I
Chemical Name:
(6S,7R)-7-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number:
92665-29-7
Molecular Formula:
C18H19N3O5S
Molecular Weight:
389.4256
MDL Number:
MFCD00911719
IUPAC Name:
(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1
InChI Key:
WDLWHQDACQUCJR-ZAMMOSSLSA-N
SMILES:
C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N
EC Number:
618-870-0
UNII:
S1SDI2FJIY
Properties
Complexity:
699  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
389.105g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
389.426g/mol
Monoisotopic Mass:
389.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
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Properties