<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">360251</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-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-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 nil="true"/>
  <cas nil="true"/>
  <pubchem-id>25078131</pubchem-id>
  <chemical-formula>C66H86N18O13</chemical-formula>
  <weight>1339.5</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">2026-09-01T08:38:42Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:38:42Z</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)CNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8</moldb-smiles>
  <moldb-formula>C66H86N18O13</moldb-formula>
  <moldb-inchi>InChI=1S/C66H86N18O13/c1-4-70-56(88)33-74-64(96)54-16-10-24-84(54)65(97)47(15-9-23-71-66(67)68)77-58(90)48(25-36(2)3)78-60(92)50(27-38-30-72-44-13-7-5-11-42(38)44)80-59(91)49(26-37-17-19-41(86)20-18-37)79-63(95)53(34-85)83-61(93)51(28-39-31-73-45-14-8-6-12-43(39)45)81-62(94)52(29-40-32-69-35-75-40)82-57(89)46-21-22-55(87)76-46/h5-8,11-14,17-20,30-32,35-36,46-54,72-73,85-86H,4,9-10,15-16,21-29,33-34H2,1-3H3,(H,69,75)(H,70,88)(H,74,96)(H,76,87)(H,77,90)(H,78,92)(H,79,95)(H,80,91)(H,81,94)(H,82,89)(H,83,93)(H4,67,68,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1</moldb-inchi>
  <moldb-inchikey>KPSXIMVWBWSQEG-ITQXDASVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1338.662175</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM356144</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-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-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 Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0310427</sync-id>
  <structure-inchikey>KPSXIMVWBWSQEG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000001c002000805000808810000000008440000020000200000000010020402200080000120280020000000000000000200400000208000000000100000000004000000000000800000a0000000c0400000400600904001000000000203000000040000400000000800000003010000001004200000000010080000004000000080000220000000008000100000010000000000000100000000000000400400000404000008004000000200408000000000a0000000000001000000000500000031008080000000000000048000001002002082300000210000000000000001000040410010000104020042000000200000000a4080000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������a���h���€���`�������`�������h��������(�������(�������`�������h��������(�������(�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������(�������(�������h��������h��������h��������(�������(�������`�������`�������`�������`�������`�������h��������(�������(�������`�������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������`�������`������@(������@h�������@h�������@(������@h�������@h��������h��������h��������(�������(�������`�������`�������`�������h��������(�������(�������`�������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������`�������`������@(������@h�������@(������@h�������@8��������h��������(�������(�������`�������`�������`�������(�������(�������h��������������� ��(��������� ��(��	�	
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���&amp;%-('�)*+,-(�456783�FEMHG�IJKLMH�TSWVU�\[`^]����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:43Z</structure-indexed-at>
</compound>
