CS-0129847
(3S,6S,8aR)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 185121-42-0
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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
C₁₄H₂₂N₂O₅
Molecular Weight
298.33
Synonyms
None
SMILES
O=C([C@@H](N12)CC[C@@]2([H])CC[C@H](NC(OC(C)(C)C)=O)C1=O)O
Tpsa
95.94
Logp
1.1177
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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: C₁₄H₂₂N₂O₅
Molecular Weight: 298.33
Synonyms: None
SMILES: O=C([C@@H](N12)CC[C@@]2([H])CC[C@H](NC(OC(C)(C)C)=O)C1=O)O
Tpsa: 95.94
Logp: 1.1177
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₅
Molecular Weight:
298.33
Synonyms:
None
SMILES:
O=C([C@@H](N12)CC[C@@]2([H])CC[C@H](NC(OC(C)(C)C)=O)C1=O)O
Tpsa:
95.94
Logp:
1.1177
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₁N₃O₇
Molecular Weight: 461.51
Synonyms: None
SMILES: O=C(N(C[C@@H]1NC(OC(C)(C)C)=O)CC[C@](CC[C@H]2C(O)=O)([H])N2C1=O)OCC3=CC=CC=C3
Tpsa: 125.48
Logp: 2.3664
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₁N₃O₇
Molecular Weight:
461.51
Synonyms:
None
SMILES:
O=C(N(C[C@@H]1NC(OC(C)(C)C)=O)CC[C@](CC[C@H]2C(O)=O)([H])N2C1=O)OCC3=CC=CC=C3
Tpsa:
125.48
Logp:
2.3664
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: MFCD00050511
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₇NO₅S
Molecular Weight: 393.50
Synonyms: O-Benzyl-L-isoleucine toluene-p-sulphonate
SMILES: O=S(C1=CC=C(C)C=C1)(O)=O.CC[C@H](C)[C@H](N)C(OCC2=CC=CC=C2)=O
Tpsa: 106.69
Logp: 3.34492
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 6
Purity:
95%
MDL No:
MFCD00050511
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₇NO₅S
Molecular Weight:
393.50
Synonyms:
O-Benzyl-L-isoleucine toluene-p-sulphonate
SMILES:
O=S(C1=CC=C(C)C=C1)(O)=O.CC[C@H](C)[C@H](N)C(OCC2=CC=CC=C2)=O
Tpsa:
106.69
Logp:
3.34492
H Acceptors:
5
H Donors:
2
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: C₁₄H₂₂N₂O₅
Molecular Weight: 298.33
Synonyms: (3S,6S,8aS)-6-(tert-butoxycarbonylamino)-5-oxooctahydroindolizine-3-carboxylic acid
SMILES: O=C([C@@H](N12)CC[C@]2([H])CC[C@H](NC(OC(C)(C)C)=O)C1=O)O
Tpsa: 95.94
Logp: 1.1177
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₅
Molecular Weight:
298.33
Synonyms:
(3S,6S,8aS)-6-(tert-butoxycarbonylamino)-5-oxooctahydroindolizine-3-carboxylic acid
SMILES:
O=C([C@@H](N12)CC[C@]2([H])CC[C@H](NC(OC(C)(C)C)=O)C1=O)O
Tpsa:
95.94
Logp:
1.1177
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2