THIAZOL-5-YLMETHYL N-((1S,2S,4S)-1-BENZYL-2-HYDROXY-4-(((2S)-2-((HYDROXYMETHYL-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)-3-METHYL-BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N6O6S2
Molecular Weight	736.944
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIAZOL-5-YLMETHYL N-((1S,2S,4S)-1-BENZYL-2-HYDROXY-4-(((2S)-2-((HYDROXYMETHYL-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)-3-METHYL-BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE

Structure Search

SMILES

CC(C)[C@H](NC(=O)N(CO)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=CYQJXDGHGQCURZ-XGKFQTDJSA-N

InChI=1S/C37H48N6O6S2/c1-24(2)33(42-36(47)43(23-44)19-29-21-50-35(40-29)25(3)4)34(46)39-28(15-26-11-7-5-8-12-26)17-32(45)31(16-27-13-9-6-10-14-27)41-37(48)49-20-30-18-38-22-51-30/h5-14,18,21-22,24-25,28,31-33,44-45H,15-17,19-20,23H2,1-4H3,(H,39,46)(H,41,48)(H,42,47)/t28-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N6O6S2
Molecular Weight	736.944
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 `Sat Dec 16 09:27:22 UTC 2023` Edited by `admin` on `Sat Dec 16 09:27:22 UTC 2023`
Record UNII	D40IV6L3MA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIAZOL-5-YLMETHYL N-((1S,2S,4S)-1-BENZYL-2-HYDROXY-4-(((2S)-2-((HYDROXYMETHYL-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)-3-METHYL-BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE

Common Name

English

2,4,7,12-TETRAAZATRIDECAN-13-OIC ACID, 1,10-DIHYDROXY-5-(1-METHYLETHYL)-2-((2-(1-METHYLETHYL)-4-THIAZOLYL)METHYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (5S-(5R*,8R*,10R*,11R*))-

Common Name

English

RITONAVIR METABOLITE M10

Common Name

English

2,7,10,12-TETRAAZATRIDECANOIC ACID, 4,13-DIHYDROXY-9-(1-METHYLETHYL)-12-((2-(1-METHYLETHYL)-4-THIAZOLYL)METHYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,4S,6S,9S)-

Common Name

English

Code System Code Type Description

PUBCHEM

86278281

Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023

PRIMARY

FDA UNII

D40IV6L3MA

Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023

PRIMARY

CAS

190649-39-9

Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023

PRIMARY

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