<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359520</id>
  <title nil="true"/>
  <common-name>[(2s,3s,4s,5r,6r)-2-[(2r,3s,4s,5s,6s)-2-[(2r)-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidin-4-yl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate</common-name>
  <description>[(2s,3s,4s,5r,6r)-2-[(2r,3s,4s,5s,6s)-2-[(2r)-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidin-4-yl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate has the chemical formula C59H94N20O21S2. With an average molecular weight of 1,484 g/mol, [(2s,3s,4s,5r,6r)-2-[(2r,3s,4s,5s,6s)-2-[(2r)-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidin-4-yl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>102039240</pubchem-id>
  <chemical-formula>C59H94N20O21S2</chemical-formula>
  <weight>1483.6</weight>
  <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">2026-09-01T07:40:09Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:40:09Z</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>CC1=C(N=C(N=C1NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNCCC(=O)N)O)C(CC(=O)N)NCC(C(=O)N)N)N</moldb-smiles>
  <moldb-formula>C59H94N20O21S2</moldb-formula>
  <moldb-inchi>InChI=1S/C59H94N20O21S2/c1-24(52(91)77-38(27(4)82)54(93)70-15-9-37-74-32(22-101-37)56-75-31(21-102-56)53(92)69-13-7-12-66-10-5-6-11-67-14-8-35(61)83)40(85)26(3)73-55(94)39(76-50-25(2)48(63)78-51(79-50)29(16-36(62)84)71-17-28(60)49(64)90)45(30-18-68-23-72-30)98-58-47(43(88)41(86)33(19-80)97-58)99-57-44(89)46(100-59(65)95)42(87)34(20-81)96-57/h18,21-24,26-29,33-34,38-47,57-58,66-67,71,80-82,85-89H,5-17,19-20,60H2,1-4H3,(H2,61,83)(H2,62,84)(H2,64,90)(H2,65,95)(H,68,72)(H,69,92)(H,70,93)(H,73,94)(H,77,91)(H3,63,76,78,79)/t24?,26?,27?,28?,29?,33-,34+,38?,39+,40?,41+,42+,43-,44-,45?,46-,47-,57-,58-/m0/s1</moldb-inchi>
  <moldb-inchikey>KARUSHFAXMKMET-FOGSEAEJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1482.634382</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-8.7</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>CHEM355413</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)-2-[(2r,3s,4s,5s,6s)-2-[(2r)-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidin-4-yl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate</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"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309731</sync-id>
  <structure-inchikey>KARUSHFAXMKMET-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>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</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABmAAAAawAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:02Z</structure-indexed-at>
</compound>
