U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H29N3O4S
Molecular Weight 467.58
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

CC(=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=LGKRKMCCXYIVTI-XWGVYQGASA-N
InChI=1S/C25H29N3O4S/c1-18(29)27-21(12-19-8-4-2-5-9-19)14-24(30)23(13-20-10-6-3-7-11-20)28-25(31)32-16-22-15-26-17-33-22/h2-11,15,17,21,23-24,30H,12-14,16H2,1H3,(H,27,29)(H,28,31)/t21-,23-,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
THIAZOL-5-YLMETHYL ((1S,2S,4S)-4-(ACETYLAMINO)-1-BENZYL-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
Systematic Name English
RITONAVIR IMPURITY C [EP IMPURITY]
Common Name English
RITONAVIR IMPURITY, ACETAMIDOALCOHOL- [USP IMPURITY]
Common Name English
CARBAMIC ACID, N-((1S,2S,4S)-4-(ACETYLAMINO)-2-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-, 5-THIAZOLYLMETHYL ESTER
Systematic Name English
1,3-THIAZOL-5-YLMETHYL N-((1S,2S,4S)-4-(ACETYLAMINO)-1-BENZYL-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
Systematic Name English
Code System Code Type Description
CAS
1010808-43-1
Created by admin on Sat Dec 16 08:43:24 GMT 2023 , Edited by admin on Sat Dec 16 08:43:24 GMT 2023
PRIMARY
PUBCHEM
71752515
Created by admin on Sat Dec 16 08:43:24 GMT 2023 , Edited by admin on Sat Dec 16 08:43:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID60143725
Created by admin on Sat Dec 16 08:43:24 GMT 2023 , Edited by admin on Sat Dec 16 08:43:24 GMT 2023
PRIMARY
FDA UNII
8KV2H7R99M
Created by admin on Sat Dec 16 08:43:24 GMT 2023 , Edited by admin on Sat Dec 16 08:43:24 GMT 2023
PRIMARY