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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N6O5S2
Molecular Weight 720.944
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAZOL-5-YLMETHYL (2S,3R,5R)-3-HYDROXY-5-((S)-2-(3-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)-3-METHYLUREIDO(-3-METHYLBUTANAMIDO)-1,6-DIPHENYLHEXAN-2-YLCARBAMATE

SMILES

CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@@H](C[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4

InChI

InChIKey=NCDNCNXCDXHOMX-PHTQWASBSA-N
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31+,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H48N6O5S2
Molecular Weight 720.944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:44 GMT 2023
Record UNII
2TJ3KVE30D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAZOL-5-YLMETHYL (2S,3R,5R)-3-HYDROXY-5-((S)-2-(3-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)-3-METHYLUREIDO(-3-METHYLBUTANAMIDO)-1,6-DIPHENYLHEXAN-2-YLCARBAMATE
Common Name English
RITONAVIR IMPURITY,3R,5R-DIASTEREOMER- [USP IMPURITY]
Common Name English
THIAZOL-5-YLMETHYL ((1S,2R,4R)-1-BENZYL-2-HYDROXY-4-(((2S)-3-METHYL-2-((METHYL((2-(1-METHYLETHYL)THIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)BUTANOYL)AMINO)-5-PHENYLPENTYL)CARBAMATE
Systematic Name English
2,7,10,12-TETRAAZATRIDECANOIC ACID, 4-HYDROXY-12-METHYL-9-(1-METHYLETHYL)-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,4R,6R,9S)-
Systematic Name English
RITONAVIR IMPURITY Q [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
2TJ3KVE30D
Created by admin on Sat Dec 16 08:19:44 GMT 2023 , Edited by admin on Sat Dec 16 08:19:44 GMT 2023
PRIMARY
PUBCHEM
72942040
Created by admin on Sat Dec 16 08:19:44 GMT 2023 , Edited by admin on Sat Dec 16 08:19:44 GMT 2023
PRIMARY
CAS
1414933-82-6
Created by admin on Sat Dec 16 08:19:44 GMT 2023 , Edited by admin on Sat Dec 16 08:19:44 GMT 2023
PRIMARY