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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N4O4S
Molecular Weight 524.675
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)RITONAVIR

SMILES

CC(C)[C@H](N)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3

InChI

InChIKey=JJZMZBZVLFGIEU-GKXKVECMSA-N
InChI=1S/C28H36N4O4S/c1-19(2)26(29)27(34)31-22(13-20-9-5-3-6-10-20)15-25(33)24(14-21-11-7-4-8-12-21)32-28(35)36-17-23-16-30-18-37-23/h3-12,16,18-19,22,24-26,33H,13-15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t22-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36N4O4S
Molecular Weight 524.675
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:26 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:26 UTC 2023
Record UNII
22XMS3IL5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)RITONAVIR
Common Name English
RITONAVIR IMPURITY, N-DEACYLVALINE RITONAVIRA- [USP IMPURITY]
Common Name English
RITONAVIR IMPURITY B [EP IMPURITY]
Common Name English
CARBAMIC ACID, N-((1S,2S,4S)-4-(((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)AMINO)-2-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-, 5-THIAZOLYLMETHYL ESTER
Systematic Name English
THIAZOL-5-YLMETHYL ((1S,2S,4S)-4-(((2S)-2-AMINO-3-METHYLBUTANOYL)AMINO)-1-BENZYL-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
22XMS3IL5Q
Created by admin on Sat Dec 16 08:43:26 UTC 2023 , Edited by admin on Sat Dec 16 08:43:26 UTC 2023
PRIMARY
CAS
765875-58-9
Created by admin on Sat Dec 16 08:43:26 UTC 2023 , Edited by admin on Sat Dec 16 08:43:26 UTC 2023
PRIMARY
PUBCHEM
22863038
Created by admin on Sat Dec 16 08:43:26 UTC 2023 , Edited by admin on Sat Dec 16 08:43:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Mixture of ureidovaline and N-deacylvaline ritonavir-0.1
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP