CS-0644902
(αS)-α-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-(2-methylpropyl)-2-oxo-3-buten-1-yl]-L-phenylalaninamide(Carfilzomib impurity)
Manufacturer: ChemScene
CAS Number: 1660143-42-9
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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
C₄₀H₅₇N₅O₆
Molecular Weight
703.91
Synonyms
None
SMILES
C=C(C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)C
Tpsa
145.94
Logp
3.3707
H Acceptors
7
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: C₄₀H₅₇N₅O₆
Molecular Weight: 703.91
Synonyms: None
SMILES: C=C(C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)C
Tpsa: 145.94
Logp: 3.3707
H Acceptors: 7
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:
C₄₀H₅₇N₅O₆
Molecular Weight:
703.91
Synonyms:
None
SMILES:
C=C(C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)C
Tpsa:
145.94
Logp:
3.3707
H Acceptors:
7
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:
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: C₄₆H₆₅N₅O₁₂
Molecular Weight: 880.03
Synonyms: None
SMILES: CC(C[C@H](C(N[C@H](CC1=CC=CC=C1)C(/N=C(C(C)=O)\CC(C(C(O)C)OC(CC(O)(CC(O)=O)C)=O)C)=O)=O)NC([C@@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)C
Tpsa: 250.33
Logp: 2.1858
H Acceptors: 12
H Donors: 6
Rotatable Bonds: 25
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₆₅N₅O₁₂
Molecular Weight:
880.03
Synonyms:
None
SMILES:
CC(C[C@H](C(N[C@H](CC1=CC=CC=C1)C(/N=C(C(C)=O)\CC(C(C(O)C)OC(CC(O)(CC(O)=O)C)=O)C)=O)=O)NC([C@@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)C
Tpsa:
250.33
Logp:
2.1858
H Acceptors:
12
H Donors:
6
Rotatable Bonds:
25
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₅N₃O₄
Molecular Weight: 453.57
Synonyms: None
SMILES: COC([C@@H](NC([C@@H](NC([C@H](CCC1=CC=CC=C1)N)=O)CC(C)C)=O)CC2=CC=CC=C2)=O
Tpsa: 110.52
Logp: 2.3779
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₅N₃O₄
Molecular Weight:
453.57
Synonyms:
None
SMILES:
COC([C@@H](NC([C@@H](NC([C@H](CCC1=CC=CC=C1)N)=O)CC(C)C)=O)CC2=CC=CC=C2)=O
Tpsa:
110.52
Logp:
2.3779
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
12