Dehydroritonavir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H46N6O5S2
Molecular Weight	718.928
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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=FACGOSOZRPCMCB-XGKFQTDJSA-N

InChI=1S/C37H46N6O5S2/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/h6-15,19,22-24,28,31-33,44H,3,16-18,20-21H2,1-2,4-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H46N6O5S2
Molecular Weight	718.928
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 `Wed Apr 02 17:10:12 GMT 2025` Edited by `admin` on `Wed Apr 02 17:10:12 GMT 2025`
Record UNII	6ZEM4BTL64
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-13-[2-(1-methylethenyl)-4-thiazolyl]-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)

Preferred Name

English

Dehydroritonavir

Common Name

English

5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-13-[2-(1-methylethenyl)-4-thiazolyl]-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

131667417

Created by admin on Wed Apr 02 17:10:12 GMT 2025 , Edited by admin on Wed Apr 02 17:10:12 GMT 2025

PRIMARY

FDA UNII

6ZEM4BTL64

Created by admin on Wed Apr 02 17:10:12 GMT 2025 , Edited by admin on Wed Apr 02 17:10:12 GMT 2025

PRIMARY

CAS

1156504-13-0

Created by admin on Wed Apr 02 17:10:12 GMT 2025 , Edited by admin on Wed Apr 02 17:10:12 GMT 2025

PRIMARY