SACUBITRIL CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H28NO5.Ca
Molecular Weight	861.044
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC([O-])=O.CCOC(=O)[C@H](C)C[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CCC([O-])=O

InChI

InChIKey=DDLCKLBRBPYKQS-OXXXZDCLSA-L

InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C24H28NO5
Molecular Weight	410.4828
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:30:33 UTC 2023` Edited by `admin` on `Sat Dec 16 15:30:33 UTC 2023`
Record UNII	8F45HCQ47Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SACUBITRIL CALCIUM

Common Name

English

(1,1'-BIPHENYL)-4-PENTANOIC ACID, .GAMMA.-((3-CARBOXY-1-OXOPROPYL)AMINO)-.ALPHA.-METHYL-, 4-ETHYL ESTER, CALCIUM SALT (2:1), (.ALPHA.R,.GAMMA.S)-

Systematic Name

English

4-(((2S,4R)-5-ETHOXY-4-METHYL-5-OXO-1-(4-PHENYLPHENYL)PENTAN-2-YL)AMINO)-4-OXOBUTANOIC ACID CALCIUM SALT,

Systematic Name

English

AHU-377 CALCIUM SALT

Common Name

English

SACUBITRIL HEMICALCIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

8F45HCQ47Q