VANIPREVIR POTASSIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H54N5O9S.K
Molecular Weight	796.027
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].[H][C@]1(C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCC3=C4CN(CC4=CC=C3)C(=O)O2)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5CC)C(=O)[N-]S(=O)(=O)C6CC6

InChI

InChIKey=GCSROPQKMQJXBI-BHHZHGTGSA-M

InChI=1S/C38H55N5O9S.K/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26;/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H3,39,40,41,44,46,47);/q;+1/p-1/t25-,26-,29+,30-,38-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C38H55N5O9S
Molecular Weight	757.936
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:11:55 UTC 2023` Edited by `admin` on `Fri Dec 15 17:11:55 UTC 2023`
Record UNII	W0LRK0QD50
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VANIPREVIR POTASSIUM

Common Name

English

VANIPREVIR POTASSIUM SALT [MI]

Common Name

English

CYCLOPROPANECARBOXAMIDE, N-(((6-(2-CARBOXY-2,3-DIHYDRO-1H-ISOINDOL-4-YL)-2,2-DIMETHYLHEXYL)OXY)CARBONYL)-3-METHYL-L-VALYL-(4R)-4-HYDROXY-L-PROLYL-1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHYL-, (1->2)-LACTONE, POTASSIUM SALT (1:1), (1R,2R)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40155326