Molecule

(3S)-10-(4-aminobutyl)-3,7-dibenzyl-1-[(4-chlorophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Chemical Information

Molecular Image
InChI InChI=1S/C33H38ClN5O4/c34-28-15-13-27(14-16-28)21-39-24-31(41)37(18-8-7-17-35)23-32(42)38(20-26-11-5-2-6-12-26)22-30(40)36-29(33(39)43)19-25-9-3-1-4-10-25/h1-6,9-16,29H,7-8,17-24,35H2,(H,36,40)/t29-/m0/s1
SMILES NCCCCN1CC(=O)N(CC(=O)N[C@H](C(=O)N(CC1=O)Cc1ccc(cc1)Cl)Cc1ccccc1)Cc1ccccc1
InChI Key UPMQNWKRPRCIKT-LJAQVGFWSA-N
Exact Mass 604.139 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol1570
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    155919838 pubchem
    The data in this table is sourced from UniChem at EBI.