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Ritonavir EP Impurity L

CAT: 1596-AR-R01734-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01734-01Size:10 Units
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CAS Number
256328-82-2
Synonyms
(S) -N- ((S) -1- ((4S,5S) -4-benzyl-2-oxooxazolidin-5-yl) -3-phenylpropan-2-yl) -2- (3- ((2-isopropylthiazol-4-yl) methyl) -3-methylureido) -3-methylbutanamide; (2S) -3-Methyl-2-[[[methyl[[2- (1-methylethyl) -4-thiazolyl]methyl]amino]carbonyl]amino]-N-[ (1S) -1-[[ (4S,5S) -2-oxo-4- (phenylmethyl) -5-oxazolidinyl]methyl]-2-phenylethyl]-butanamide; Ritonavir EP Impurity L; Desthiazolylmethyl Ritonavir
Molecular Formula
C33H43N5O4S
Molecular Weight
605.81
API Name
Ritonavir

Chemical Information

Desthiazolylmethyl ritonavir
CAS Number256328-82-2
PubChem CID45038913
IUPAC Name(2S)-N-[(2S)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
Molecular FormulaC33H43N5O4S
Molecular Weight605.8
XLogP5.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity908
SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H]2[C@@H](NC(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C33H43N5O4S/c1-21(2)29(37-32(40)38(5)19-26-20-43-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28-27(36-33(41)42-28)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29H,16-19H2,1-5H3,(H,34,39)(H,36,41)(H,37,40)/t25-,27-,28-,29-/m0/s1
InChIKey
YIFUFODEQQNFLV-AMEOFWRWSA-N
Chemical Structure
2D Structure
2D structure of Desthiazolylmethyl ritonavir
CAS: 256328-82-2
CID: 45038913
Formula: C33H43N5O4S
MW: 605.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.8
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass605.30357604
Monoisotopic Mass605.30357604
Topological Polar Surface Area141 Ų
Heavy Atom Count43
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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