(2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane Hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O4S.ClH
Molecular Weight	561.136
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane Hydrochloride

Structure Search

SMILES

Cl.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=VKNPCMHAKSWCGU-WDPGHHQZSA-N

InChI=1S/C28H36N4O4S.ClH/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);1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:10:11 GMT 2025` Edited by `admin` on `Wed Apr 02 17:10:11 GMT 2025`
Record UNII	WSM7H4WV2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ritonavir impurity B (Monoacyl Valine) Hydrochloride

Preferred Name

English

(2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane Hydrochloride

Systematic Name

English

Carbamic acid, [4-[(2-amino-3-methyl-1-oxobutyl)amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, monohydrochloride, [1S-[1R*,2R*,4R*(R*)]]

Systematic Name

English

Code System Code Type Description

PUBCHEM

22863039

Created by admin on Wed Apr 02 17:10:11 GMT 2025 , Edited by admin on Wed Apr 02 17:10:11 GMT 2025

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FDA UNII

WSM7H4WV2V

Created by admin on Wed Apr 02 17:10:11 GMT 2025 , Edited by admin on Wed Apr 02 17:10:11 GMT 2025

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CAS

165315-97-9

Created by admin on Wed Apr 02 17:10:11 GMT 2025 , Edited by admin on Wed Apr 02 17:10:11 GMT 2025

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