A-98498

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H45N5O3S
Molecular Weight	579.796
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChIKey=IQKWCORIMSRQGZ-AMEOFWRWSA-N

InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H45N5O3S
Molecular Weight	579.796
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 GMT 2023` Edited by `admin` on `Sat Dec 16 09:27:22 GMT 2023`
Record UNII	34F916N28Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-98498

Common Name

English

(2S)-N-((1S,3S,4S)-4-AMINO-1-BENZYL-3-HYDROXY-5-PHENYL-PENTYL)-2-(((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)AMINO)-3-METHYL-BUTANAMIDE

Systematic Name

English

BUTANAMIDE, N-((1S,3S,4S)-4-AMINO-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-3-METHYL-2-(((METHYL((2-(1-METHYLETHYL)-4-THIAZOLYL)METHYL)AMINO)CARBONYL)AMINO)-, (2S)-

Systematic Name

English

RITONAVIR METABOLITE M1

Common Name

English

BUTANAMIDE, N-(4-AMINO-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)-3-METHYL-2-(((METHYL((2-(1-METHYLETHYL)-4-THIAZOLYL)METHYL)AMINO)CARBONYL)AMINO)-, (1S-(1R*(R*),3R*,4R*))-

Common Name

English

Code System Code Type Description

PUBCHEM

11467322

Created by admin on Sat Dec 16 09:27:22 GMT 2023 , Edited by admin on Sat Dec 16 09:27:22 GMT 2023

PRIMARY

CAS

176655-55-3

Created by admin on Sat Dec 16 09:27:22 GMT 2023 , Edited by admin on Sat Dec 16 09:27:22 GMT 2023

PRIMARY

FDA UNII

34F916N28Z

Created by admin on Sat Dec 16 09:27:22 GMT 2023 , Edited by admin on Sat Dec 16 09:27:22 GMT 2023

PRIMARY

EPA CompTox

DTXSID00466763

Created by admin on Sat Dec 16 09:27:22 GMT 2023 , Edited by admin on Sat Dec 16 09:27:22 GMT 2023

PRIMARY