<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">224378</id>
  <title nil="true"/>
  <common-name>N-[(2s)-5-(diaminomethylideneamino)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(4-methoxynaphthalen-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide</common-name>
  <description>N-[(2s)-5-(diaminomethylideneamino)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(4-methoxynaphthalen-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C50H59N9O7. With an average molecular weight of 898.10 g/mol, N-[(2s)-5-(diaminomethylideneamino)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[(4-methoxynaphthalen-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide is a heavy molecule.</description>
  <cas>99112-24-0</cas>
  <pubchem-id>99647862</pubchem-id>
  <chemical-formula>C50H59N9O7</chemical-formula>
  <weight>898.1</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">2026-08-22T19:27:29Z</created-at>
  <updated-at type="dateTime">2026-08-22T19:27:29Z</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 nil="true"/>
  <moldb-formula>C50H59N9O7</moldb-formula>
  <moldb-inchi>InChI=1S/C50H59N9O7/c1-32(2)26-40(47(63)55-37-29-36-22-13-14-23-38(36)43(30-37)66-3)58-49(65)42(28-34-18-9-5-10-19-34)59-48(64)41(27-33-16-7-4-8-17-33)56-44(60)31-54-46(62)39(24-15-25-53-50(51)52)57-45(61)35-20-11-6-12-21-35/h4-14,16-23,29-30,32,39-42H,15,24-28,31H2,1-3H3,(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,65)(H,59,64)(H4,51,52,53)/t39-,40-,41-,42-/m0/s1</moldb-inchi>
  <moldb-inchikey>YDTGMILTYFXNDF-IWWWZYECSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">898.1</moldb-average-mass>
  <moldb-mono-mass type="decimal">897.4537453</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM220271</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>N-[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide</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">0</paper-count>
  <sync-id>CED0129101</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
