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

Details

Stereochemistry EPIMERIC
Molecular Formula C18H36N4O3.C5H7NO3
Molecular Weight 485.6174
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRROLIDONE CARBOXYLIC ACID ETHYL CAPROYL ARGINATE

SMILES

OC(=O)C1CCC(=O)N1.CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)OCC

InChI

InChIKey=JZZRZIPSCPWLOV-RSAXXLAASA-N
InChI=1S/C18H36N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-13-16(23)22-15(17(24)25-4-2)12-11-14-21-18(19)20;7-4-2-1-3(6-4)5(8)9/h15H,3-14H2,1-2H3,(H,22,23)(H4,19,20,21);3H,1-2H2,(H,6,7)(H,8,9)/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C5H7NO3
Molecular Weight 129.114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C18H36N4O3
Molecular Weight 356.5034
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:17:29 GMT 2023
Edited
by admin
on Sat Dec 16 02:17:29 GMT 2023
Record UNII
916PPU081X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRROLIDONE CARBOXYLIC ACID ETHYL CAPROYL ARGINATE
Common Name English
PCA ETHYL CAPROYL ARGINATE
Common Name English
Code System Code Type Description
PUBCHEM
73425504
Created by admin on Sat Dec 16 02:17:29 GMT 2023 , Edited by admin on Sat Dec 16 02:17:29 GMT 2023
PRIMARY
FDA UNII
916PPU081X
Created by admin on Sat Dec 16 02:17:29 GMT 2023 , Edited by admin on Sat Dec 16 02:17:29 GMT 2023
PRIMARY
CAS
757176-90-2
Created by admin on Sat Dec 16 02:17:29 GMT 2023 , Edited by admin on Sat Dec 16 02:17:29 GMT 2023
PRIMARY