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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H37N3O4
Molecular Weight 419.5576
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-{[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino}butyl)carbamate

SMILES

CC(C)(C)OC(=O)N(CCCCN[C@H]1CCCC2=CC=CN=C12)C(=O)OC(C)(C)C

InChI

InChIKey=RDPLGJBLBYTBLV-SFHVURJKSA-N
InChI=1S/C23H37N3O4/c1-22(2,3)29-20(27)26(21(28)30-23(4,5)6)16-8-7-14-24-18-13-9-11-17-12-10-15-25-19(17)18/h10,12,15,18,24H,7-9,11,13-14,16H2,1-6H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H37N3O4
Molecular Weight 419.5576
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 20:07:19 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:19 GMT 2023
Record UNII
W7LT52F66F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-{[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino}butyl)carbamate
Systematic Name English
Imidodicarbonic acid, [4-[[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]butyl]-, bis(1,1-dimethylethyl) ester
Systematic Name English
1,3-Bis(1,1-dimethylethyl) 2-[4-[[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]butyl]imidodicarbonate
Systematic Name English
Code System Code Type Description
PUBCHEM
16050246
Created by admin on Sat Dec 16 20:07:19 GMT 2023 , Edited by admin on Sat Dec 16 20:07:19 GMT 2023
PRIMARY
FDA UNII
W7LT52F66F
Created by admin on Sat Dec 16 20:07:19 GMT 2023 , Edited by admin on Sat Dec 16 20:07:19 GMT 2023
PRIMARY
CAS
865346-44-7
Created by admin on Sat Dec 16 20:07:19 GMT 2023 , Edited by admin on Sat Dec 16 20:07:19 GMT 2023
PRIMARY