Molecule

(3S,6S)-6-(4-aminobutyl)-1,10-dibutyl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Chemical Information

Molecular Image
InChI InChI=1S/C27H43N5O5/c1-3-5-15-31-18-24(34)29-22(9-7-8-14-28)26(36)30-23(17-20-10-12-21(33)13-11-20)27(37)32(16-6-4-2)19-25(31)35/h10-13,22-23,33H,3-9,14-19,28H2,1-2H3,(H,29,34)(H,30,36)/t22-,23-/m0/s1
SMILES CCCCN1CC(=O)N(CCCC)CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccc(cc1)O)CCCCN
InChI Key UQZIUPVCJVFEKL-GOTSBHOMSA-N
Exact Mass 517.661 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol3903
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    155919829 pubchem
    The data in this table is sourced from UniChem at EBI.