CS-0914347
(3aR,4R,6S,6aS)-4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 316173-27-0
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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
C₁₇H₂₈N₂O₅
Molecular Weight
340.41
Synonyms
None
SMILES
N(C(OC(C)(C)C)=O)[C@H]1[C@]2([C@@]([C@@H](C(O)=O)C1)(ON=C2C(CC)CC)[H])[H]
Tpsa
97.22
Logp
2.7914
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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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: C₁₇H₂₈N₂O₅
Molecular Weight: 340.41
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@H]1[C@]2([C@@]([C@@H](C(O)=O)C1)(ON=C2C(CC)CC)[H])[H]
Tpsa: 97.22
Logp: 2.7914
H Acceptors: 5
H Donors: 2
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:
C₁₇H₂₈N₂O₅
Molecular Weight:
340.41
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@H]1[C@]2([C@@]([C@@H](C(O)=O)C1)(ON=C2C(CC)CC)[H])[H]
Tpsa:
97.22
Logp:
2.7914
H Acceptors:
5
H Donors:
2
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: C₁₅H₂₇N₃O₅
Molecular Weight: 329.39
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(N)=O)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa: 141.75
Logp: 0.0458
H Acceptors: 4
H Donors: 5
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:
C₁₅H₂₇N₃O₅
Molecular Weight:
329.39
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(N)=O)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa:
141.75
Logp:
0.0458
H Acceptors:
4
H Donors:
5
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: C₁₄H₂₇ClN₂O₄
Molecular Weight: 322.83
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](O)[C@@H](C(O)=O)C[C@H]1N)[H].Cl
Tpsa: 112.65
Logp: 0.758
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₇ClN₂O₄
Molecular Weight:
322.83
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](O)[C@@H](C(O)=O)C[C@H]1N)[H].Cl
Tpsa:
112.65
Logp:
0.758
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₈N₂O₄
Molecular Weight: 300.39
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](O)[C@H](C(OC)=O)C[C@H]1N)[H]
Tpsa: 101.65
Logp: 0.4246
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₈N₂O₄
Molecular Weight:
300.39
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](O)[C@H](C(OC)=O)C[C@H]1N)[H]
Tpsa:
101.65
Logp:
0.4246
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
6