Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C33H39N5O5/c34-17-7-8-18-37-22-30(40)35-28(19-25-13-15-27(39)16-14-25)32(42)36-29(20-24-9-3-1-4-10-24)33(43)38(23-31(37)41)21-26-11-5-2-6-12-26/h1-6,9-16,28-29,39H,7-8,17-23,34H2,(H,35,40)(H,36,42)/t28-,29-/m0/s1
SMILES NCCCCN1CC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N(CC1=O)Cc1ccccc1)Cc1ccccc1
InChI Key HYSGWUWCTONTHU-VMPREFPWSA-N
Exact Mass 585.693 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol1823
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    155919823 pubchem
    The data in this table is sourced from UniChem at EBI.