CS-0644878
(αS)-α-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3R)-4-(1H-benzotriazol-1-yloxy)-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-L-phenylalaninamide(Carfilzomib impurity)
Manufacturer: ChemScene
CAS Number: 1541171-68-9
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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
C₄₆H₆₂N₈O₈
Molecular Weight
855.03
Synonyms
None
SMILES
O=C(CN1CCOCC1)N[C@@H](CCC2=CC=CC=C2)C(N[C@@H](CC(C)C)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C([C@](C)(O)CON4C5=CC=CC=C5N=N4)=O)=O)=O)=O
Tpsa
206.11
Logp
2.4191
H Acceptors
12
H Donors
5
Rotatable Bonds
23
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: C₄₆H₆₂N₈O₈
Molecular Weight: 855.03
Synonyms: None
SMILES: O=C(CN1CCOCC1)N[C@@H](CCC2=CC=CC=C2)C(N[C@@H](CC(C)C)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C([C@](C)(O)CON4C5=CC=CC=C5N=N4)=O)=O)=O)=O
Tpsa: 206.11
Logp: 2.4191
H Acceptors: 12
H Donors: 5
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₆₂N₈O₈
Molecular Weight:
855.03
Synonyms:
None
SMILES:
O=C(CN1CCOCC1)N[C@@H](CCC2=CC=CC=C2)C(N[C@@H](CC(C)C)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C([C@](C)(O)CON4C5=CC=CC=C5N=N4)=O)=O)=O)=O
Tpsa:
206.11
Logp:
2.4191
H Acceptors:
12
H Donors:
5
Rotatable Bonds:
23
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₅₅N₅O₈
Molecular Weight: 721.88
Synonyms: None
SMILES: CC(C/C(C(N[C@@H](C(N[C@H](CC(C)C)C([C@@H](CO)O)=O)=O)CC1=CC=CC=C1)=O)=N\C([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)C
Tpsa: 186.73
Logp: 1.6306
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₅₅N₅O₈
Molecular Weight:
721.88
Synonyms:
None
SMILES:
CC(C/C(C(N[C@@H](C(N[C@H](CC(C)C)C([C@@H](CO)O)=O)=O)CC1=CC=CC=C1)=O)=N\C([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)C
Tpsa:
186.73
Logp:
1.6306
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₇NO₂
Molecular Weight: 171.24
Synonyms: None
SMILES: CC(C[C@H](C([C@@]1(CO1)C)=O)N)C
Tpsa: 55.62
Logp: 0.7178
H Acceptors: 3
H Donors: 1
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:
C₉H₁₇NO₂
Molecular Weight:
171.24
Synonyms:
None
SMILES:
CC(C[C@H](C([C@@]1(CO1)C)=O)N)C
Tpsa:
55.62
Logp:
0.7178
H Acceptors:
3
H Donors:
1
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: C₄₀H₅₇N₅O₇
Molecular Weight: 719.91
Synonyms: None
SMILES: CC[C@@H](C(C([C@@]1(CO1)C)=O)NC([C@@H](NC([C@@H](NC(C(NC(CN2CCOCC2)=O)CCC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=CC=C4)=O)C
Tpsa: 158.47
Logp: 2.5835
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₇N₅O₇
Molecular Weight:
719.91
Synonyms:
None
SMILES:
CC[C@@H](C(C([C@@]1(CO1)C)=O)NC([C@@H](NC([C@@H](NC(C(NC(CN2CCOCC2)=O)CCC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=CC=C4)=O)C
Tpsa:
158.47
Logp:
2.5835
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
20