(2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H58N4O7
Molecular Weight	790.986
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE

Structure Search

SMILES

CC(C)[C@H](N1CCCN(C(=O)COC2=C(C)C=CC=C2C)C1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC3=CC=CC=C3)NC(=O)COC4=C(C)C=CC=C4C)CC5=CC=CC=C5

InChI

InChIKey=UHWCOWBJLYNDGZ-PUTFYWIISA-N

InChI=1S/C47H58N4O7/c1-31(2)43(51-25-15-24-50(47(51)56)42(54)30-58-45-34(5)18-14-19-35(45)6)46(55)48-38(26-36-20-9-7-10-21-36)28-40(52)39(27-37-22-11-8-12-23-37)49-41(53)29-57-44-32(3)16-13-17-33(44)4/h7-14,16-23,31,38-40,43,52H,15,24-30H2,1-6H3,(H,48,55)(H,49,53)/t38-,39-,40-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H58N4O7
Molecular Weight	790.986
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 `Fri Dec 15 16:24:37 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:37 UTC 2023`
Record UNII	91JKZ2D33X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE

Systematic Name

English

LOPINAVIR N-ACYL

Common Name

English

LOPINAVIR IMPURITY I [WHO-IP]

Common Name

English

LOPINAVIR IMPURITY, LOPINAVIR N-ACYL- [USP IMPURITY]

Common Name

English

DIACYLATED LOPINAVIR [WHO-IP]

Common Name

English

N-((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL(-3-METHYLBUTANAMIDE, (S)-

Common Name

English

(S)-N-((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL(-3-METHYLBUTANAMIDE

Systematic Name

English

LOPINAVIR IMPURITY R [EP IMPURITY]

Common Name

English

1(2H)-PYRIMIDINEACETAMIDE, 3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(1-METHYLETHYL)-2-OXO-, (.ALPHA.S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71587880

Created by admin on Fri Dec 15 16:24:37 UTC 2023 , Edited by admin on Fri Dec 15 16:24:37 UTC 2023

PRIMARY

FDA UNII

91JKZ2D33X

Created by admin on Fri Dec 15 16:24:37 UTC 2023 , Edited by admin on Fri Dec 15 16:24:37 UTC 2023

PRIMARY

CAS

943250-66-6

Created by admin on Fri Dec 15 16:24:37 UTC 2023 , Edited by admin on Fri Dec 15 16:24:37 UTC 2023

PRIMARY

Related Record Type Details


					2494G1JF75

LOPINAVIR

PARENT -> IMPURITY

Comments:

Amount not specified.