CS-0567618
(4R)-2-(1-((S)-2-Amino-2-phenylacetamido)-2-(((1R)-2-((carboxy((4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)methyl)amino)-2-oxo-1-phenylethyl)amino)-2-oxoethyl)-5,5-dimethylthiazolidine-4-carboxylic acid Ampicillin Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₂H₄₀N₆O₉S₂
Molecular Weight
716.82
Synonyms
None
SMILES
[H][C@]1(NC(SC1(C)C)C(C(O)=O)NC([C@](NC(C(C2N[C@](C(O)=O)(C(C)(S2)C)[H])NC([C@@](N)(C3=CC=CC=C3)[H])=O)=O)(C4=CC=CC=C4)[H])=O)C(O)=O
Tpsa
249.28
Logp
0.3867
H Acceptors
11
H Donors
9
Rotatable Bonds
13
Other Options
...
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₄₀N₆O₉S₂
Molecular Weight: 716.82
Synonyms: None
SMILES: [H][C@]1(NC(SC1(C)C)C(C(O)=O)NC([C@](NC(C(C2N[C@](C(O)=O)(C(C)(S2)C)[H])NC([C@@](N)(C3=CC=CC=C3)[H])=O)=O)(C4=CC=CC=C4)[H])=O)C(O)=O
Tpsa: 249.28
Logp: 0.3867
H Acceptors: 11
H Donors: 9
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₀N₆O₉S₂
Molecular Weight:
716.82
Synonyms:
None
SMILES:
[H][C@]1(NC(SC1(C)C)C(C(O)=O)NC([C@](NC(C(C2N[C@](C(O)=O)(C(C)(S2)C)[H])NC([C@@](N)(C3=CC=CC=C3)[H])=O)=O)(C4=CC=CC=C4)[H])=O)C(O)=O
Tpsa:
249.28
Logp:
0.3867
H Acceptors:
11
H Donors:
9
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₈N₆O₈S₂
Molecular Weight: 698.81
Synonyms: None
SMILES: [H][C@]1(C(O)=O)N2C([C@]([C@]2([H])SC1(C)C)([H])NC([C@@](C3=CC=CC=C3)([H])NC(C(NC([C@](C4=CC=CC=C4)([H])N)=O)C5N[C@](C(S5)(C)C)([H])C(O)=O)=O)=O)=O
Tpsa: 220.26
Logp: 0.5547
H Acceptors: 10
H Donors: 7
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₈N₆O₈S₂
Molecular Weight:
698.81
Synonyms:
None
SMILES:
[H][C@]1(C(O)=O)N2C([C@]([C@]2([H])SC1(C)C)([H])NC([C@@](C3=CC=CC=C3)([H])NC(C(NC([C@](C4=CC=CC=C4)([H])N)=O)C5N[C@](C(S5)(C)C)([H])C(O)=O)=O)=O)=O
Tpsa:
220.26
Logp:
0.5547
H Acceptors:
10
H Donors:
7
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₁N₅O₇S₂
Molecular Weight: 565.66
Synonyms: None
SMILES: [H][C@@]1(C(N2[C@]1(SC(C)([C@]2(C(O)=O)[H])C)[H])=O)NC([C@](NC([C@](N)(C3=CC=CC=C3)[H])=O)([C@@]4(N[C@@](C(O)=O)(C(C)(S4)C)[H])[H])[H])=O
Tpsa: 191.16
Logp: -0.3028
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₁N₅O₇S₂
Molecular Weight:
565.66
Synonyms:
None
SMILES:
[H][C@@]1(C(N2[C@]1(SC(C)([C@]2(C(O)=O)[H])C)[H])=O)NC([C@](NC([C@](N)(C3=CC=CC=C3)[H])=O)([C@@]4(N[C@@](C(O)=O)(C(C)(S4)C)[H])[H])[H])=O
Tpsa:
191.16
Logp:
-0.3028
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₅₇N₉O₁₂S₃
Molecular Weight: 1048.21
Synonyms: None
SMILES: [H][C@]1(NC(SC1(C)C)C(C(N[C@@](C(NC(C2N[C@](C(O)=O)(C(C)(S2)C)[H])C(N[C@@](C(N[C@@]3(C(N4[C@@](C(O)=O)(C(C)(S[C@@]43[H])C)[H])=O)[H])=O)(C5=CC=CC=C5)[H])=O)=O)(C6=CC=CC=C6)[H])=O)NC([C@@](N)(C7=CC=CC=C7)[H])=O)C(O)=O
Tpsa: 327.79
Logp: 0.7913
H Acceptors: 15
H Donors: 11
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₅₇N₉O₁₂S₃
Molecular Weight:
1048.21
Synonyms:
None
SMILES:
[H][C@]1(NC(SC1(C)C)C(C(N[C@@](C(NC(C2N[C@](C(O)=O)(C(C)(S2)C)[H])C(N[C@@](C(N[C@@]3(C(N4[C@@](C(O)=O)(C(C)(S[C@@]43[H])C)[H])=O)[H])=O)(C5=CC=CC=C5)[H])=O)=O)(C6=CC=CC=C6)[H])=O)NC([C@@](N)(C7=CC=CC=C7)[H])=O)C(O)=O
Tpsa:
327.79
Logp:
0.7913
H Acceptors:
15
H Donors:
11
Rotatable Bonds:
18