CS-0644913
(6S,12R)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate Carfilzomib impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₃₇H₄₇N₃O₆
Molecular Weight
629.79
Synonyms
None
SMILES
CC(CC(C(N[C@@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3=CC=CC=C3)=O)C
Tpsa
122.83
Logp
5.5143
H Acceptors
6
H Donors
3
Rotatable Bonds
15
Other Options
...
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: C₃₇H₄₇N₃O₆
Molecular Weight: 629.79
Synonyms: None
SMILES: CC(CC(C(N[C@@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3=CC=CC=C3)=O)C
Tpsa: 122.83
Logp: 5.5143
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₇N₃O₆
Molecular Weight:
629.79
Synonyms:
None
SMILES:
CC(CC(C(N[C@@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3=CC=CC=C3)=O)C
Tpsa:
122.83
Logp:
5.5143
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₅₄ClN₅O₇
Molecular Weight: 740.33
Synonyms: None
SMILES: CC(CC(C(N[C@H](C(NC1CC(C([C@@](Cl)(C1=O)C)O)C)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(CN3CCOCC3)=O)CCC4=CC=CC=C4)=O)C
Tpsa: 166.17
Logp: 2.1467
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₅₄ClN₅O₇
Molecular Weight:
740.33
Synonyms:
None
SMILES:
CC(CC(C(N[C@H](C(NC1CC(C([C@@](Cl)(C1=O)C)O)C)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(CN3CCOCC3)=O)CCC4=CC=CC=C4)=O)C
Tpsa:
166.17
Logp:
2.1467
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₉N₅O₈
Molecular Weight: 737.93
Synonyms: None
SMILES: CC(CC(C([C@@](O)(CO)C)=O)NC([C@H](NC([C@@H](NC([C@H](CCC1=CC=CC=C1)NC(CN2CCOCC2)=O)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)C
Tpsa: 186.4
Logp: 1.5379
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₉N₅O₈
Molecular Weight:
737.93
Synonyms:
None
SMILES:
CC(CC(C([C@@](O)(CO)C)=O)NC([C@H](NC([C@@H](NC([C@H](CCC1=CC=CC=C1)NC(CN2CCOCC2)=O)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)C
Tpsa:
186.4
Logp:
1.5379
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₁N₅O₄
Molecular Weight: 523.67
Synonyms: None
SMILES: CCC[C@@H](C(N[C@H](C(O)=O)CC1=CC=CC=C1)=O)NC([C@@H](/N=C(N(C)C)/N(C)C)CCC2=CC=CC=C2)=O
Tpsa: 114.34
Logp: 2.564
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₁N₅O₄
Molecular Weight:
523.67
Synonyms:
None
SMILES:
CCC[C@@H](C(N[C@H](C(O)=O)CC1=CC=CC=C1)=O)NC([C@@H](/N=C(N(C)C)/N(C)C)CCC2=CC=CC=C2)=O
Tpsa:
114.34
Logp:
2.564
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
13