TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C36H55N7O6
Molecular Weight	681.8652
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-

Structure Search

SMILES

[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CN=CC=N3)C4CCCCC4)C(C)(C)C)C(=O)N[C@@H](CCC)C(O)C(=O)NC5CC5

InChI

InChIKey=FTZGWEAUHOMNIG-FAIVAVRGSA-N

InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29?,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H55N7O6
Molecular Weight	681.8652
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:59:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:59:53 GMT 2023`
Record UNII	ZDU3WB34L8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-

Common Name

English

TELAPREVIR METABOLITE M3

Common Name

English

CYCLOPENTA(C)PYRROLE-1-CARBOXAMIDE, (2S)-2-CYCLOHEXYL-N-(2-PYRAZINYLCARBONYL)GLYCYL-3-METHYL-L-VALYL-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL)BUTYL)OCTAHYDRO-, (1S,3AR,6AS)-

Systematic Name

English

(3S,3AS,6AR)-2-((2S)-2-(((2S)-2-CYCLOHEXYL-2-(PYRAZINE-2-CARBONYLAMINO)ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXO-ETHYL)BUTYL)-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA(C)PYRROLE-3-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

CAS

402959-36-8

Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023

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PUBCHEM

23634854

Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023

PRIMARY

FDA UNII

ZDU3WB34L8

Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023

PRIMARY

Related Record Type Details


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TELAPREVIR

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