139759 <common-name>EP-217609</common-name> <description nil="true"/> <cas>894494-99-6</cas> <pubchem-id nil="true"/> <chemical-formula>C95H151N11O59S8</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">2026-04-14T22:10:17Z</created-at> <updated-at type="dateTime">2026-05-14T20:08:08Z</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>DB18393</drugbank-id> <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@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)C[C@H](NS(=O)(=O)C3=C(C)C=C(OC)C(C)=C3C)C(=O)N[C@H](CC3=CC=C(C=C3)C(N)=N)C(=O)N3CCCCC3)C(=O)NCCOCCOCCOCCO[C@@H]3[C@@H](COS(O)(=O)=O)O[C@H](O[C@@]4([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]5([H])[C@@H](COS(O)(=O)=O)O[C@H](O[C@@]6([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]7([H])[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]7OC)O[C@H]6C(O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@@H]4C(O)=O)[C@H](OC)[C@H]3OC)[C@@]1([H])NC(=O)N2</moldb-smiles> <moldb-formula>C95H151N11O59S8</moldb-formula> <moldb-inchi>InChI=1S/C95H151N11O59S8/c1-48-41-57(138-4)49(2)50(3)83(48)167(118,119)105-54(86(111)102-55(87(112)106-32-18-13-19-33-106)42-51-25-27-52(28-26-51)84(96)97)43-64(109)99-30-20-24-63(108)101-53(21-16-17-29-98-62(107)23-15-14-22-61-65-56(47-166-61)103-95(117)104-65)85(110)100-31-34-147-35-36-148-37-38-149-39-40-150-66-58(44-151-168(120,121)122)155-91(78(143-9)69(66)139-5)159-73-71(141-7)80(145-11)93(162-76(73)88(113)114)158-68-60(46-153-170(126,127)128)156-94(82(165-173(135,136)137)75(68)163-171(129,130)131)160-74-72(142-8)79(144-10)92(161-77(74)89(115)116)157-67-59(45-152-169(123,124)125)154-90(146-12)81(70(67)140-6)164-172(132,133)134/h25-28,41,53-56,58-61,65-82,90-94,105H,13-24,29-40,42-47H2,1-12H3,(H3,96,97)(H,98,107)(H,99,109)(H,100,110)(H,101,108)(H,102,111)(H,113,114)(H,115,116)(H2,103,104,117)(H,120,121,122)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)/t53-,54-,55+,56-,58+,59+,60+,61-,65+,66+,67-,68-,69+,70+,71-,72-,73+,74+,75+,76+,77-,78+,79+,80+,81+,82+,90-,91+,92+,93+,94+/m0/s1</moldb-inchi> <moldb-inchikey>QIBHGITUGYXJDF-UDLCEBFESA-N</moldb-inchikey> <moldb-average-mass type="decimal">2647.75</moldb-average-mass> <moldb-mono-mass type="decimal">2645.691925878</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.9</logp> <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>CHEM135652</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2S,3S,4S,5R,6R)-3-{[(2R,3R,4S,5R,6R)-5-{2-[2-(2-{2-[(2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-{4-[(3S)-3-{[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]carbamoyl}-3-(4-methoxy-2,3,6-trimethylbenzenesulfonamido)propanamido]butanamido}hexanamido]ethoxy}ethoxy)ethoxy]ethoxy}-3,4-dimethoxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-6-{[(2R,3R,4S,5R,6R)-6-{[(2R,3S,4S,5R,6R)-2-carboxy-6-{[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-4,5-dimethoxyoxan-3-yl]oxy}-4,5-bis(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-4,5-dimethoxyoxane-2-carboxylic 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>