CS-0913988
(2S,3S)-3-((Z)-2-(2-aminothiazol-4-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-2-methyl-4-oxoazetidine-1-sulfonic acid
Manufacturer: ChemScene
CAS Number: 330944-50-8
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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
C₁₇H₂₅N₅O₈S₂
Molecular Weight
491.54
Synonyms
None
SMILES
N(C(/C(=N\OC(C(OC(C)(C)C)=O)(C)C)/C1=CSC(N)=N1)=O)[C@H]2[C@H](C)N(S(=O)(=O)O)C2=O
Tpsa
190.58
Logp
0.0846
H Acceptors
11
H Donors
3
Rotatable Bonds
7
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₇H₂₅N₅O₈S₂
Molecular Weight: 491.54
Synonyms: None
SMILES: N(C(/C(=N\OC(C(OC(C)(C)C)=O)(C)C)/C1=CSC(N)=N1)=O)[C@H]2[C@H](C)N(S(=O)(=O)O)C2=O
Tpsa: 190.58
Logp: 0.0846
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅N₅O₈S₂
Molecular Weight:
491.54
Synonyms:
None
SMILES:
N(C(/C(=N\OC(C(OC(C)(C)C)=O)(C)C)/C1=CSC(N)=N1)=O)[C@H]2[C@H](C)N(S(=O)(=O)O)C2=O
Tpsa:
190.58
Logp:
0.0846
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₆₉ClN₂O₁₃
Molecular Weight: 785.40
Synonyms: None
SMILES: O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3.Cl
Tpsa: 209.43
Logp: 2.4685
H Acceptors: 15
H Donors: 6
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₆₉ClN₂O₁₃
Molecular Weight:
785.40
Synonyms:
None
SMILES:
O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3.Cl
Tpsa:
209.43
Logp:
2.4685
H Acceptors:
15
H Donors:
6
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₅N₃O₃
Molecular Weight: 369.37
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CN3C(=O)NC4=CC=CC(C(=O)O)=C43
Tpsa: 98.88
Logp: 3.61478
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₅N₃O₃
Molecular Weight:
369.37
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CN3C(=O)NC4=CC=CC(C(=O)O)=C43
Tpsa:
98.88
Logp:
3.61478
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₇N₃O₄
Molecular Weight: 387.39
Synonyms: None
SMILES: O=C(O)C=1C=CC=C2NC(=O)N(C21)CC=3C=CC(=CC3)C=4C=CC=CC4C(=O)N
Tpsa: 118.18
Logp: 2.842
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₇N₃O₄
Molecular Weight:
387.39
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=C2NC(=O)N(C21)CC=3C=CC(=CC3)C=4C=CC=CC4C(=O)N
Tpsa:
118.18
Logp:
2.842
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
5