BMS-605339 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H47N5O9S.ClH
Molecular Weight	750.302
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC=C2C(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C5CC5)=NC=CC2=C1

InChI

InChIKey=NXGWQBPDTOWFRU-LDXKOHLSSA-N

InChI=1S/C35H47N5O9S.ClH/c1-9-21-18-35(21,31(43)39-50(45,46)24-11-12-24)38-28(41)26-17-23(48-29-25-13-10-22(47-8)16-20(25)14-15-36-29)19-40(26)30(42)27(33(2,3)4)37-32(44)49-34(5,6)7;/h9-10,13-16,21,23-24,26-27H,1,11-12,17-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43);1H/t21-,23-,26+,27-,35-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C35H47N5O9S
Molecular Weight	713.841
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Peptide backbone replacement of hepatitis C virus NS3 serine protease C-terminal cleavage product analogs: discovery of potent succinamide inhibitors.	2013 Aug 1	23773863
The discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection.	2014 Mar 13	24564672
Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection.	2014 Mar 13	24555570

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:39:34 GMT 2023` Edited by `admin` on `Fri Dec 15 20:39:34 GMT 2023`
Record UNII	851G02709C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-605339 HYDROCHLORIDE

Common Name

English

CYCLOPROPANECARBOXAMIDE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-3-METHYL-L-VALYL-(4R)-4-((6-METHOXY-1-ISOQUINOLINYL)OXY)-L-PROLYL-1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHENYL-, MONOHYDROCHLORIDE, (1R,2S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

131634025

Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023

PRIMARY

CAS

630421-70-4

Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023

PRIMARY

FDA UNII

851G02709C

Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023

PRIMARY

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BMS-605339

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