U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21NO4
Molecular Weight 279.3315
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(O)=O

InChI

InChIKey=CEIWXEQZZZHLDM-AAEUAGOBSA-N
InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H21NO4
Molecular Weight 279.3315
Charge 0
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 Fri Dec 15 19:00:44 UTC 2023
Edited
by admin
on Fri Dec 15 19:00:44 UTC 2023
Record UNII
10SZ4IJ77B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE
Systematic Name English
BENZENEBUTANOIC ACID, .ALPHA.-(((1S)-1-CARBOXYETHYL)AMINO)-, 1-ETHYL ESTER, (.ALPHA.S)-
Common Name English
ENALAPRIL MALEATE IMPURITY B [EP IMPURITY]
Common Name English
MOEXIPRIL RELATED COMPOUND F [USP-RS]
Common Name English
RAMIPRIL IMPURITY F [EP IMPURITY]
Common Name English
SPIRAPRIL HYDROCHLORIDE MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
QUINAPRIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
N-((S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE
Systematic Name English
(2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)PROPANOIC ACID
Systematic Name English
ENALAPRILAT DIHYDRATE IMPURITY F [EP IMPURITY]
Common Name English
MOEXIPRIL RELATED COMPOUND F [USP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901235536
Created by admin on Fri Dec 15 19:00:44 UTC 2023 , Edited by admin on Fri Dec 15 19:00:44 UTC 2023
PRIMARY
PUBCHEM
5702571
Created by admin on Fri Dec 15 19:00:44 UTC 2023 , Edited by admin on Fri Dec 15 19:00:44 UTC 2023
PRIMARY
FDA UNII
10SZ4IJ77B
Created by admin on Fri Dec 15 19:00:44 UTC 2023 , Edited by admin on Fri Dec 15 19:00:44 UTC 2023
PRIMARY
RS_ITEM_NUM
1445653
Created by admin on Fri Dec 15 19:00:44 UTC 2023 , Edited by admin on Fri Dec 15 19:00:44 UTC 2023
PRIMARY
CAS
82717-96-2
Created by admin on Fri Dec 15 19:00:44 UTC 2023 , Edited by admin on Fri Dec 15 19:00:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
EP
PARENT -> IMPURITY
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY