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80904-76-3 | 1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-
CAS No: 80904-76-3 Catalog No: AG0056XP MDL No:
Product Description
Catalog Number:
AG0056XP
Chemical Name:
1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-
CAS Number:
80904-76-3
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
IUPAC Name:
(3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid
InChI:
InChI=1S/C11H12N2O5S/c14-10(6-8-4-2-1-3-5-8)12-9-7-13(11(9)15)19(16,17)18/h1-5,9H,6-7H2,(H,12,14)(H,16,17,18)/t9-/m0/s1
InChI Key:
LXNONFKMWIQEJK-VIFPVBQESA-N
SMILES:
O=C(Cc1ccccc1)N[C@H]1CN(C1=O)S(=O)(=O)O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.286g/mol
Monoisotopic Mass:
284.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and reactivity with beta-lactamases of a monobactam bearing a retro-amide side chain. | Bioorganic & medicinal chemistry letters 20060215 |
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