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Carfilzomib Impurity 2

CAT: 0931-TYD-03361-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03361-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1541172-75-1
Target
Others
Related Pathways
Others
Bioactivity
Carfilzomib Impurity 2 is a pharmaceutical intermediate used in the synthesis of various active compounds.
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)C(N[C@H](C([C@](CO)(C)O)=O)CC(C)C)=O
Molecular Formula
C40H59N5O8
Molecular Weight
737.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
CAS Number1541172-75-1
PubChem CID86715358
IUPAC Name(2S)-N-[(2S)-1-[[(2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
Molecular FormulaC40H59N5O8
Molecular Weight737.9
XLogP3.7
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count53
Formal Charge0
Complexity1170
SMILES
CC(C)C[C@@H](C(=O)[C@@](C)(CO)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C40H59N5O8/c1-27(2)22-32(36(48)40(5,52)26-46)42-39(51)34(24-30-14-10-7-11-15-30)44-38(50)33(23-28(3)4)43-37(49)31(17-16-29-12-8-6-9-13-29)41-35(47)25-45-18-20-53-21-19-45/h6-15,27-28,31-34,46,52H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t31-,32-,33-,34-,40+/m0/s1
InChIKey
ABPYUKBBMCBILQ-NZTKNTHTSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-((S)-1-(((2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
CAS: 1541172-75-1
CID: 86715358
Formula: C40H59N5O8
MW: 737.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight737.9
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass737.43636386
Monoisotopic Mass737.43636386
Topological Polar Surface Area186 Ų
Heavy Atom Count53
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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