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O-Acetyl Ritonavir

CAT: 1596-AR-R11076-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11076-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183246-46-0
Synonyms
(((2-isopropylthiazol-4-yl) methyl) (methyl) carbamoyl) -D-valine
Molecular Formula
C15H25N3O3S
Molecular Weight
327.44
API Name
Ritonavir

Chemical Information

(((2-Isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-D-valine
CAS Number183246-46-0
PubChem CID10805157
IUPAC Name(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid
Molecular FormulaC14H23N3O3S
Molecular Weight313.42
XLogP2.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity376
SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@H](C(C)C)C(=O)O
InChI
InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKey
OSQWRZICKAOBFA-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (((2-Isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-D-valine
CAS: 183246-46-0
CID: 10805157
Formula: C14H23N3O3S
MW: 313.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.42
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass313.14601278
Monoisotopic Mass313.14601278
Topological Polar Surface Area111 Ų
Heavy Atom Count21
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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