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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H40N6O9
Molecular Weight 532.5878
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LYSINE-DOTA

SMILES

N[C@@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O

InChI

InChIKey=JCEJITBDLXNFBI-KRWDZBQOSA-N
InChI=1S/C22H40N6O9/c23-17(22(36)37)3-1-2-4-24-18(29)13-25-5-7-26(14-19(30)31)9-11-28(16-21(34)35)12-10-27(8-6-25)15-20(32)33/h17H,1-16,23H2,(H,24,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H40N6O9
Molecular Weight 532.5878
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 11:45:16 GMT 2023
Edited
by admin
on Sat Dec 16 11:45:16 GMT 2023
Record UNII
KTZ0L57AI1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LYSINE-DOTA
Common Name English
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, 10-(2-(((5S)-5-AMINO-5-CARBOXYPENTYL)AMINO)-2-OXOETHYL)-
Systematic Name English
LYSINE-TETRAXETAN
Common Name English
Code System Code Type Description
FDA UNII
KTZ0L57AI1
Created by admin on Sat Dec 16 11:45:16 GMT 2023 , Edited by admin on Sat Dec 16 11:45:16 GMT 2023
PRIMARY
CAS
508172-24-5
Created by admin on Sat Dec 16 11:45:16 GMT 2023 , Edited by admin on Sat Dec 16 11:45:16 GMT 2023
PRIMARY
PUBCHEM
49763728
Created by admin on Sat Dec 16 11:45:16 GMT 2023 , Edited by admin on Sat Dec 16 11:45:16 GMT 2023
PRIMARY