BMS-605339 POTASSIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H46N5O9S.K
Molecular Weight	751.931
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].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)[N-]S(=O)(=O)C5CC5)=NC=CC2=C1

InChI

InChIKey=MWJDNZGZMHRFGB-LDXKOHLSSA-M

InChI=1S/C35H47N5O9S.K/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,(H3,37,38,39,41,43,44);/q;+1/p-1/t21-,23-,26+,27-,35-;/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	C35H47N5O9S
Molecular Weight	713.841
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 15:55:44 GMT 2023` Edited by `admin` on `Fri Dec 15 15:55:44 GMT 2023`
Record UNII	15ZS272WHL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-605339 POTASSIUM

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-, MONOPOTASSIUM SALT, (1R,2S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

131801083

Created by admin on Fri Dec 15 15:55:44 GMT 2023 , Edited by admin on Fri Dec 15 15:55:44 GMT 2023

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CAS

630421-71-5

Created by admin on Fri Dec 15 15:55:44 GMT 2023 , Edited by admin on Fri Dec 15 15:55:44 GMT 2023

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FDA UNII

15ZS272WHL

Created by admin on Fri Dec 15 15:55:44 GMT 2023 , Edited by admin on Fri Dec 15 15:55:44 GMT 2023

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BMS-605339

PARENT -> SALT/SOLVATE