CS-0644857
(αS)-2-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2S)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide Carfilzomib impurity
Manufacturer: ChemScene
CAS Number: 1672698-88-2
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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
C₄₀H₅₇N₅O₇
Molecular Weight
719.91
Synonyms
None
SMILES
CC(C[C@@H](C(N[C@H](C(N[C@H](C([C@@]1(CO1)C)=O)CC(C)C)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(CN3CCOCC3)=O)CCC4=CC=CC=C4)=O)C
Tpsa
158.47
Logp
2.5835
H Acceptors
8
H Donors
4
Rotatable Bonds
20
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: C₄₀H₅₇N₅O₇
Molecular Weight: 719.91
Synonyms: None
SMILES: CC(C[C@@H](C(N[C@H](C(N[C@H](C([C@@]1(CO1)C)=O)CC(C)C)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(CN3CCOCC3)=O)CCC4=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[C@@H](C(N[C@H](C(N[C@H](C([C@@]1(CO1)C)=O)CC(C)C)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(CN3CCOCC3)=O)CCC4=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: C₄₀H₅₈N₅O₈+
Molecular Weight: 736.92
Synonyms: None
SMILES: O=C(C[N+]1(CCOCC1)O)N[C@H](C(N[C@H](C(N[C@H](C(NC(C([C@]2(CO2)C)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)CCC4=CC=CC=C4
Tpsa: 175.46
Logp: 2.4875
H Acceptors: 8
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:
C₄₀H₅₈N₅O₈+
Molecular Weight:
736.92
Synonyms:
None
SMILES:
O=C(C[N+]1(CCOCC1)O)N[C@H](C(N[C@H](C(N[C@H](C(NC(C([C@]2(CO2)C)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)CCC4=CC=CC=C4
Tpsa:
175.46
Logp:
2.4875
H Acceptors:
8
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: C₃₄H₄₈N₄O₅
Molecular Weight: 592.77
Synonyms: None
SMILES: CC(CC(C([C@]1(CO1)C)=O)NC([C@@H](NC([C@@H](NC([C@H](CCC2=CC=CC=C2)N)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)C
Tpsa: 142.92
Logp: 3.0938
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₄₈N₄O₅
Molecular Weight:
592.77
Synonyms:
None
SMILES:
CC(CC(C([C@]1(CO1)C)=O)NC([C@@H](NC([C@@H](NC([C@H](CCC2=CC=CC=C2)N)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)C
Tpsa:
142.92
Logp:
3.0938
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
17
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: 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@]4(CO4)C)=O)=O)=O)=O
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:
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@]4(CO4)C)=O)=O)=O)=O
Tpsa:
158.47
Logp:
2.5835
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
20