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{7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate hydrochloride

{7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate hydrochloride

CAS: 111696-23-2

Formula: C20H26ClN5O7S2

SMILES: Cl.CON=C(/C(=O)NC1C2SCC(C)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1

IUPAC: {7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate hydrochloride

InChI: InChI=1/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;

Composition: C (43.83%), H (4.78%), Cl (6.47%), N (12.78%), O (20.44%), S (11.70%)

Molar Mass: 548.03

Atom Count: 61

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 547.0962182
Formal Charge 0
FSP3 0.5
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey XAAOHMIKXULDKJ-VAYBTIOZNA-N
Lipinski's Rule of Five
Molar Refractivity 122.91
Topological Polar Surface Area 162.51
Polarizability 47.57
Ring Count 3
Rotatable Bond Count 10

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 111696-23-2 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 111696-23-2 $40.51-$61.92$40.51$61.92
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