<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">360262</id>
  <title nil="true"/>
  <common-name>(2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide</common-name>
  <description>(2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide has the chemical formula C67H124N18O15. With an average molecular weight of 1,422 g/mol, (2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide is a heavy molecule.</description>
  <cas>145854-59-7</cas>
  <pubchem-id>5491418</pubchem-id>
  <chemical-formula>C67H124N18O15</chemical-formula>
  <weight>1421.8</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">2026-09-01T08:39:38Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:39:38Z</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>CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)N</moldb-smiles>
  <moldb-formula>C67H124N18O15</moldb-formula>
  <moldb-inchi>InChI=1S/C67H124N18O15/c1-18-38(12)53(71)67(100)85-51(32-52(70)86)66(99)84-50(31-37(10)11)64(97)79-45(24-20-22-26-69)61(94)75-42(16)58(91)82-47(28-34(4)5)62(95)76-39(13)55(88)73-40(14)57(90)81-48(29-35(6)7)63(96)77-41(15)56(89)78-44(23-19-21-25-68)60(93)74-43(17)59(92)83-49(30-36(8)9)65(98)80-46(54(72)87)27-33(2)3/h33-51,53H,18-32,68-69,71H2,1-17H3,(H2,70,86)(H2,72,87)(H,73,88)(H,74,93)(H,75,94)(H,76,95)(H,77,96)(H,78,89)(H,79,97)(H,80,98)(H,81,90)(H,82,91)(H,83,92)(H,84,99)(H,85,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1</moldb-inchi>
  <moldb-inchikey>HOLQXBRPSSZJMZ-FGRXCANLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1420.949355</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM356155</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)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide</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>CED0310438</sync-id>
  <structure-inchikey>HOLQXBRPSSZJMZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000804000000400000800000000000000000000000000000200009002000000000000000000008000000000000000000000000000000000000000000000000400000000000000000020000000800000000003009000010000002000010000000000000000000000000000000000004000000404000000000000000040000020000002000000000080001000000000080000000000000000112000000000000000000000000040000000000000000000002000000004000000801000000000000000210000200000000000100000010000000000000000400000000004008100000000000020010400000000000000000000000080000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������d���c���€���`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������`�����������������������(��� ����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:57:44Z</structure-indexed-at>
</compound>
