BIS(THIAZOL-5-YLMETHYL)-4,15-DIHYDROXY-10-ISOPROPYL-8,11-DIOXO-3,6,13,16-TETRABENZYL-2,7,9,12,17-PENTAAZAOCTADECANEDIOATE, (3S,4S,6S,10S,13S,15S,16S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H61N7O8S2
Molecular Weight	976.213
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BIS(THIAZOL-5-YLMETHYL)-4,15-DIHYDROXY-10-ISOPROPYL-8,11-DIOXO-3,6,13,16-TETRABENZYL-2,7,9,12,17-PENTAAZAOCTADECANEDIOATE, (3S,4S,6S,10S,13S,15S,16S)-

Structure Search

SMILES

CC(C)[C@H](NC(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3)C(=O)N[C@H](C[C@H](O)[C@H](CC4=CC=CC=C4)NC(=O)OCC5=CN=CS5)CC6=CC=CC=C6

InChI

InChIKey=UFFLDXFQXNYZLF-BHRSBNONSA-N

InChI=1S/C52H61N7O8S2/c1-35(2)48(49(62)55-40(23-36-15-7-3-8-16-36)27-46(60)44(25-38-19-11-5-12-20-38)57-51(64)66-31-42-29-53-33-68-42)59-50(63)56-41(24-37-17-9-4-10-18-37)28-47(61)45(26-39-21-13-6-14-22-39)58-52(65)67-32-43-30-54-34-69-43/h3-22,29-30,33-35,40-41,44-48,60-61H,23-28,31-32H2,1-2H3,(H,55,62)(H,57,64)(H,58,65)(H2,56,59,63)/t40-,41-,44-,45-,46-,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H61N7O8S2
Molecular Weight	976.213
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:52 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:52 GMT 2023`
Record UNII	I8743EEB07
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIS(THIAZOL-5-YLMETHYL)-4,15-DIHYDROXY-10-ISOPROPYL-8,11-DIOXO-3,6,13,16-TETRABENZYL-2,7,9,12,17-PENTAAZAOCTADECANEDIOATE, (3S,4S,6S,10S,13S,15S,16S)-

Common Name

English

RITONAVIR IMPURITY, VALINE UREA ANALOG- [USP IMPURITY]

Common Name

English

THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-4-(((2S)-2-((((1S,3S,4S)-1-BENZYL-3-HYDROXY-5-PHENYL-4-(((THIAZOL-5-YLMETHOXY)CARBONYL)AMINO)PENTYL)CARBAMOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE

Systematic Name

English

(3S,4S,6S,10S,13S,15S,16S)-BIS(THIAZOL-5-YLMETHYL)-4,15-DIHYDROXY-10-ISOPROPYL-8,11-DIOXO-3,6,13,16-TETRABENZYL-2,7,9,12,17-PENTAAZAOCTADECANEDIOATE

Common Name

English

RITONAVIR IMPURITY S [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

I8743EEB07

Created by admin on Sat Dec 16 11:03:52 GMT 2023 , Edited by admin on Sat Dec 16 11:03:52 GMT 2023

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PUBCHEM

76962732

Created by admin on Sat Dec 16 11:03:52 GMT 2023 , Edited by admin on Sat Dec 16 11:03:52 GMT 2023

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