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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H39N5O5S
Molecular Weight	581.726
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)-3-METHYL-2-(METHYLCARBAMOYLAMINO)BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE

Structure Search

SMILES

CNC(=O)N[C@@H](C(C)C)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=UVQJGJZZUNOHCX-MNUOIFNESA-N

InChI=1S/C30H39N5O5S/c1-20(2)27(35-29(38)31-3)28(37)33-23(14-21-10-6-4-7-11-21)16-26(36)25(15-22-12-8-5-9-13-22)34-30(39)40-18-24-17-32-19-41-24/h4-13,17,19-20,23,25-27,36H,14-16,18H2,1-3H3,(H,33,37)(H,34,39)(H2,31,35,38)/t23-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H39N5O5S
Molecular Weight	581.726
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 09:47:47 UTC 2023` Edited by `admin` on `Sat Dec 16 09:47:47 UTC 2023`
Record UNII	65L8ALZ6FJ
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)-3-METHYL-2-(METHYLCARBAMOYLAMINO)BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE

Systematic Name

English

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

Common Name

English

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

Common Name

English

RITONAVIR METABOLITE M11

Common Name

English

Code System Code Type Description

CAS

176655-57-5

Created by admin on Sat Dec 16 09:47:47 UTC 2023 , Edited by admin on Sat Dec 16 09:47:47 UTC 2023

PRIMARY

EPA CompTox

DTXSID90735859

Created by admin on Sat Dec 16 09:47:47 UTC 2023 , Edited by admin on Sat Dec 16 09:47:47 UTC 2023

PRIMARY

FDA UNII

65L8ALZ6FJ

Created by admin on Sat Dec 16 09:47:47 UTC 2023 , Edited by admin on Sat Dec 16 09:47:47 UTC 2023

PRIMARY

PUBCHEM

66832582

Created by admin on Sat Dec 16 09:47:47 UTC 2023 , Edited by admin on Sat Dec 16 09:47:47 UTC 2023

PRIMARY

Related Record Type Details


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RITONAVIR

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Interaction Type:

MAJOR

Qualification:

FECAL

Amount: