<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359510</id>
  <title nil="true"/>
  <common-name>(2s)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(2s)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide</common-name>
  <description>(2s)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(2s)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide has the chemical formula C59H84N16O12. With an average molecular weight of 1,209 g/mol, (2s)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(2s)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide is a heavy molecule.</description>
  <cas>61012-19-9</cas>
  <pubchem-id>66577115</pubchem-id>
  <chemical-formula>C59H84N16O12</chemical-formula>
  <weight>1209.4</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">2026-09-01T07:39:19Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:39:19Z</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>CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6</moldb-smiles>
  <moldb-formula>C59H84N16O12</moldb-formula>
  <moldb-inchi>InChI=1S/C59H84N16O12/c1-7-63-55(85)46-15-11-23-75(46)57(87)40(14-10-22-64-58(60)61)68-50(80)41(24-32(2)3)72-56(86)48(59(4,5)6)74-53(83)42(25-33-16-18-36(77)19-17-33)69-54(84)45(30-76)73-51(81)43(26-34-28-65-38-13-9-8-12-37(34)38)70-52(82)44(27-35-29-62-31-66-35)71-49(79)39-20-21-47(78)67-39/h8-9,12-13,16-19,28-29,31-32,39-46,48,65,76-77H,7,10-11,14-15,20-27,30H2,1-6H3,(H,62,66)(H,63,85)(H,67,78)(H,68,80)(H,69,84)(H,70,82)(H,71,79)(H,72,86)(H,73,81)(H,74,83)(H4,60,61,64)/t39-,40-,41-,42-,43-,44-,45-,46-,48-/m0/s1</moldb-inchi>
  <moldb-inchikey>XJWIEWPGHRSZJM-MGZASHDBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1208.645462</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</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>CHEM355403</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)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(2s)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide</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>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309722</sync-id>
  <structure-inchikey>XJWIEWPGHRSZJM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001c002000825000808810000000008440000020000200000000010020442200080000120280020008000000000000200400000208000000000100000000004000000000000800000a000000080400000400600904001000000000203000000440100400000000800200003010000001004200000000010080000004000000080000220000000008000100000010000000000000100000000000000400400000404000008004000000000400000000000a0000010000001000000000500000031008080000000000000048000000002002082200004210000000000000001000040410010000104020042000000200000000a40c0000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABXAAAAXAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:01Z</structure-indexed-at>
</compound>
