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Details

Stereochemistry ACHIRAL
Molecular Formula C20H36N2O6
Molecular Weight 400.5096
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of trans-4-[[(1,1-Dimethylethoxy)carbonyl][2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]cyclohexaneacetic acid

SMILES

CC(C)(C)OC(=O)NCCN([C@H]1CC[C@H](CC(O)=O)CC1)C(=O)OC(C)(C)C

InChI

InChIKey=DPEPJEGWFJEONX-SHTZXODSSA-N
InChI=1S/C20H36N2O6/c1-19(2,3)27-17(25)21-11-12-22(18(26)28-20(4,5)6)15-9-7-14(8-10-15)13-16(23)24/h14-15H,7-13H2,1-6H3,(H,21,25)(H,23,24)/t14-,15-

HIDE SMILES / InChI

Molecular Formula C20H36N2O6
Molecular Weight 400.5096
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 Sat Dec 16 19:57:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:08 GMT 2023
Record UNII
N6J5U5ZWY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
trans-4-[[(1,1-Dimethylethoxy)carbonyl][2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]cyclohexaneacetic acid
Systematic Name English
Cyclohexaneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl][2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-, trans-
Systematic Name English
Code System Code Type Description
CAS
1613269-64-9
Created by admin on Sat Dec 16 19:57:09 GMT 2023 , Edited by admin on Sat Dec 16 19:57:09 GMT 2023
PRIMARY
FDA UNII
N6J5U5ZWY9
Created by admin on Sat Dec 16 19:57:09 GMT 2023 , Edited by admin on Sat Dec 16 19:57:09 GMT 2023
PRIMARY