<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">139841</id>
  <title nil="true"/>
  <common-name>MALP-2</common-name>
  <description>MALP-2 is a compound with the chemical formula C99H167N19O30S. With an average molecular weight of 2,136 g/mol, MALP-2 is a heavy molecule.</description>
  <cas>250718-44-6</cas>
  <pubchem-id>134687197</pubchem-id>
  <chemical-formula>C99H167N19O30S</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-14T22:14:28Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:08:25Z</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>DB18482</drugbank-id>
  <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>CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C99H167N19O30S</moldb-formula>
  <moldb-inchi>InChI=1S/C99H167N19O30S/c1-5-8-10-12-14-16-18-20-22-24-26-28-33-43-84(131)147-59-64(148-85(132)44-34-29-27-25-23-21-19-17-15-13-11-9-6-2)60-149-61-65(102)87(133)106-56-80(124)107-71(52-77(103)121)92(138)113-72(53-78(104)122)93(139)115-74(55-83(129)130)94(140)110-68(46-48-82(127)128)90(136)116-75(57-119)96(142)114-73(54-79(105)123)95(141)118-86(62(4)7-3)98(144)117-76(58-120)97(143)112-70(51-63-39-31-30-32-40-63)91(137)108-66(41-35-37-49-100)88(134)109-67(45-47-81(125)126)89(135)111-69(99(145)146)42-36-38-50-101/h30-32,39-40,62,64-76,86,119-120H,5-29,33-38,41-61,100-102H2,1-4H3,(H2,103,121)(H2,104,122)(H2,105,123)(H,106,133)(H,107,124)(H,108,137)(H,109,134)(H,110,140)(H,111,135)(H,112,143)(H,113,138)(H,114,142)(H,115,139)(H,116,136)(H,117,144)(H,118,141)(H,125,126)(H,127,128)(H,129,130)(H,145,146)/t62-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,86-/m0/s1</moldb-inchi>
  <moldb-inchikey>DMWMUMWKGKGSNW-OPMCLZTFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">2135.59</moldb-average-mass>
  <moldb-mono-mass type="decimal">2134.184696227</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-7.7</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>CHEM135734</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)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-{[(2R)-2,3-bis(hexadecanoyloxy)propyl]sulfanyl}propanamido]acetamido}-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanamido]-4-carboxybutanamido]hexanoic acid</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">854</paper-count>
  <sync-id>CED0009105</sync-id>
  <structure-inchikey>DMWMUMWKGKGSNW-OPMCLZTFSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000401c00000000e04000811000000000004000002000000000000101002000040000001000000008004000000000000000000000020000000000000000000000c000100000000000000200000040001000001004090000000000020200100000000004040001000000000100000000050000004010000000000000000402000208400020200000500800010000001000000000000000010001120000000000000000000000820410000000000c8000800000001000004002000800008010000000000b08000000000000000000000110000400220000000400000000100008840000040000020010400000000010000000000020088000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAACVAAAAlQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:51:06Z</structure-indexed-at>
</compound>
