124696 <common-name>[D-Asp³]MC‐YY</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>155802239</pubchem-id> <chemical-formula>C54H67N7O14</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T08:34:08Z</created-at> <updated-at type="dateTime">2026-05-21T08:45:02Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@](CC1=CC=CC=C1)(OC)[C@@H](C)C=C(/C)C=C[C@]1([H])NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C54H67N7O14</moldb-formula> <moldb-inchi>InChI=1S/C54H67N7O14/c1-30(25-31(2)45(75-7)28-35-11-9-8-10-12-35)13-22-40-32(3)48(66)58-41(53(71)72)23-24-47(65)61(6)34(5)50(68)55-33(4)49(67)59-43(27-37-16-20-39(63)21-17-37)52(70)60-44(54(73)74)29-46(64)56-42(51(69)57-40)26-36-14-18-38(62)19-15-36/h8-22,25,31-33,40-45,62-63H,5,23-24,26-29H2,1-4,6-7H3,(H,55,68)(H,56,64)(H,57,69)(H,58,66)(H,59,67)(H,60,70)(H,71,72)(H,73,74)/b22-13+,30-25+/t31-,32-,33+,40-,41+,42-,43-,44+,45-/m0/s1</moldb-inchi> <moldb-inchikey>OCYZRCVDCXSNRA-JFMOJRJTSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1038.165</moldb-average-mass> <moldb-mono-mass type="decimal">1037.4746</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM120589</chemdb-id> <dsstox-id>DTXSID201047465</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00114555</susdat-id> <iupac>8,15-bis(4-hydroxybenzyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>