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

Details

Stereochemistry MIXED
Molecular Formula C16H32N4O7
Molecular Weight 392.4479
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [7-(Carboxymethyl)-4-(1,3,4-trihydroxybut-2-yl)-1,4,7,10-tetrazacyclododecan-1-yl]acetic acid

SMILES

OCC(O)C(CO)N1CCN(CC(O)=O)CCNCCN(CC(O)=O)CC1

InChI

InChIKey=QSSHLBPPXUCLNC-UHFFFAOYSA-N
InChI=1S/C16H32N4O7/c21-11-13(14(23)12-22)20-7-5-18(9-15(24)25)3-1-17-2-4-19(6-8-20)10-16(26)27/h13-14,17,21-23H,1-12H2,(H,24,25)(H,26,27)

HIDE SMILES / InChI

Approval Year

Name Type Language
[7-(Carboxymethyl)-4-(1,3,4-trihydroxybut-2-yl)-1,4,7,10-tetrazacyclododecan-1-yl]acetic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
153762645
Created by admin on Sat Dec 16 20:20:34 GMT 2023 , Edited by admin on Sat Dec 16 20:20:34 GMT 2023
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FDA UNII
K94UJV2NLF
Created by admin on Sat Dec 16 20:20:34 GMT 2023 , Edited by admin on Sat Dec 16 20:20:34 GMT 2023
PRIMARY