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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35N3O5S
Molecular Weight 525.66
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE

SMILES

CC(C)(C)OC(=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=NURNDOWJCSUXHT-HVCNVCAESA-N
InChI=1S/C28H35N3O5S/c1-28(2,3)36-27(34)30-22(14-20-10-6-4-7-11-20)16-25(32)24(15-21-12-8-5-9-13-21)31-26(33)35-18-23-17-29-19-37-23/h4-13,17,19,22,24-25,32H,14-16,18H2,1-3H3,(H,30,34)(H,31,33)/t22-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H35N3O5S
Molecular Weight 525.66
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:29 UTC 2023
Edited
by admin
on Sat Dec 16 09:13:29 UTC 2023
Record UNII
A8Y2Q7CAUV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
Systematic Name English
RITONAVIR IMPURITY J [EP IMPURITY]
Common Name English
RITONAVIR IMPURITY, BOC-AMINOALCOHOL- [USP IMPURITY]
Common Name English
TERT-BUTYL N-((1S,3S,4S)-1-BENZYL-3-HYDROXY-5-PHENYL-4-(((THIAZOL-5-YLMETHOXY)CARBONYL)AMINO)PENTYL)CARBAMATE
Systematic Name English
CARBAMIC ACID, N-((1S,2S,4S)-4-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-, 5-THIAZOLYLMETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
22858342
Created by admin on Sat Dec 16 09:13:29 UTC 2023 , Edited by admin on Sat Dec 16 09:13:29 UTC 2023
PRIMARY
CAS
162849-95-8
Created by admin on Sat Dec 16 09:13:29 UTC 2023 , Edited by admin on Sat Dec 16 09:13:29 UTC 2023
PRIMARY
FDA UNII
A8Y2Q7CAUV
Created by admin on Sat Dec 16 09:13:29 UTC 2023 , Edited by admin on Sat Dec 16 09:13:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Mixture of BOC-aminoalcohol and isobutoxycarbonyl aminoalcohol- 0.1
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP