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

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H53N5O8
Molecular Weight 695.8454
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-1-[(2S)-6-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanamido]-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

SMILES

NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)NCCCC[C@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C(=O)N3CCC[C@H]3C(O)=O

InChI

InChIKey=HNPFFJOLGHPMBR-XDIGFQIYSA-N
InChI=1S/C37H53N5O8/c38-23-9-7-16-28(40-30(35(45)46)21-19-26-12-3-1-4-13-26)33(43)39-24-10-8-17-29(34(44)42-25-11-18-32(42)37(49)50)41-31(36(47)48)22-20-27-14-5-2-6-15-27/h1-6,12-15,28-32,40-41H,7-11,16-25,38H2,(H,39,43)(H,45,46)(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H53N5O8
Molecular Weight 695.8454
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 Sat Dec 16 18:21:07 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:07 GMT 2023
Record UNII
N5K5PZE63S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-1-[(2S)-6-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanamido]-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
Systematic Name English
Lisinopril impurity 2
Common Name English
Lisinopril Dihydrate Impurity J [EP Impurity]
Common Name English
Code System Code Type Description
FDA UNII
N5K5PZE63S
Created by admin on Sat Dec 16 18:21:08 GMT 2023 , Edited by admin on Sat Dec 16 18:21:08 GMT 2023
PRIMARY
CAS
2566937-60-6
Created by admin on Sat Dec 16 18:21:08 GMT 2023 , Edited by admin on Sat Dec 16 18:21:08 GMT 2023
PRIMARY
PUBCHEM
168429473
Created by admin on Sat Dec 16 18:21:08 GMT 2023 , Edited by admin on Sat Dec 16 18:21:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP