Lopinavir carboxymethyl dimer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H86N8O9
Molecular Weight	1135.4372
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Lopinavir carboxymethyl dimer

Structure Search

SMILES

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=C(CC(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](O)C[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C(C)C)N6CCCNC6=O)C=C3C)CC7=CC=CC=C7

InChI

InChIKey=YIRKCMCCJCYUTP-MTVYKSGESA-N

InChI=1S/C66H86N8O9/c1-43(2)60(73-31-19-29-67-65(73)81)63(79)69-52(35-47-21-11-7-12-22-47)40-56(75)54(37-49-25-15-9-16-26-49)71-58(77)39-51-33-45(5)62(46(6)34-51)83-42-59(78)72-55(38-50-27-17-10-18-28-50)57(76)41-53(36-48-23-13-8-14-24-48)70-64(80)61(44(3)4)74-32-20-30-68-66(74)82/h7-18,21-28,33-34,43-44,52-57,60-61,75-76H,19-20,29-32,35-42H2,1-6H3,(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t52-,53-,54-,55-,56-,57-,60-,61-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C66H86N8O9
Molecular Weight	1135.4372
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:20:37 GMT 2023` Edited by `admin` on `Sat Dec 16 11:20:37 GMT 2023`
Record UNII	VZ8PUA68U3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lopinavir carboxymethyl dimer

Common Name

English

1(2H)-Pyrimidineacetamide, tetrahydro-N-[(1S,3S,4S)-3-hydroxy-4-[[2-[4-[2-[[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-1-oxo-2-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)butyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]amino]-2-oxoethoxy]-3,5-dimethylphenyl]acetyl]amin

Systematic Name

English

(2S)-N-[(1S,3S,4S)-1-benzyl-4-({[4-(2-{[(1S,2S,4S)-1-benzyl-2-hydroxy-4-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-5-phenylpentyl]amino}-2-oxoethyl)-2,6-dimethylphenoxy]acetyl}amino)-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxote

Systematic Name

English

LOPINAVIR IMPURITY D [WHO-IP]

Common Name

English

Code System Code Type Description

FDA UNII

VZ8PUA68U3

Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023

PRIMARY

PUBCHEM

162623502

Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023

PRIMARY

CAS

1989516-33-7

Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023

PRIMARY

Related Record Type Details


					2494G1JF75

LOPINAVIR

PARENT -> IMPURITY

Comments:

Amount not specified.

Amount: