<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">135358</id>
  <title nil="true"/>
  <common-name>Deslorelin</common-name>
  <description>Deslorelin is an organic compound with the chemical formula C64H83N17O12. Deslorelin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,282 g/mol, Deslorelin is a heavy molecule. It has been identified in one recorded source, which is electrical and electronic equipment, specifically antennas.</description>
  <cas>57773-65-6</cas>
  <pubchem-id>25077495</pubchem-id>
  <chemical-formula>C64H83N17O12</chemical-formula>
  <weight>1282.4</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">2026-04-14T18:16:25Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:33:10Z</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>DB11510</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>[H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC</moldb-smiles>
  <moldb-formula>C64H83N17O12</moldb-formula>
  <moldb-inchi>InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1</moldb-inchi>
  <moldb-inchikey>GJKXGJCSJWBJEZ-XRSSZCMZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1282.475</moldb-average-mass>
  <moldb-mono-mass type="decimal">1281.640711181</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.9</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>CHEM131251</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)-1-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-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">551</paper-count>
  <sync-id>CED0010685</sync-id>
  <structure-inchikey>GJKXGJCSJWBJEZ-XRSSZCMZSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001c000000805000808010000000000440000020000200000000010020442200080000020280020000000000000000200400000208000000000100000000005000000000001c00000a000100080400008400a00904001000000000003000000040000400000000200000003110000000000010000000010080000004000000080008220000000408000100000010000000000000100000000000000400400000404000008004000000000400018000000a000000000000000000000050000002100808040000000000004800000000200200222000021000000000000000100004049000000010400004000000020000000024080000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������]���d���€�� 4��������`�������`�������(�������(�������h��������(�������(�������h������� 4��������`������@(������@h�������@8�������@h�������@(�������(�������(�������h������� 4��������`������@(������@h�������@8�������@(������@(������@h�������@h�������@h�������@h��������(�������(�������h������� 4��������`�������`�������(�������(�������h������� 4��������`������@(������@h�������@h�������@(�������h�������@h�������@h��������(�������(�������h������� 4��������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������h������� 4��������`�������`�������`�������`�������(�������(�������h������� 4��������`�������`�������`�������h��������(�������h��������h��������(�������(�������(�������`�������`�������`������ 4��������(�������(�������h��������`�������`�����������������(��� �����(��� �	�	
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����h��h��h���h�	����(��� �����������h���h���h���h���h���h���h���h������(��   !�!"�"#�!$�$%(�$&amp; &amp;'�'(�()�)*h�*+h�+,h�,- ,.h�./h�'0�01(�02 23�34�45�56h�67h�78h�89h�9:h�:;h�;&lt;h�&lt;=h�3&gt;�&gt;?(�&gt;@ @A�AB�BC�CD�CE�AF�FG(�FH HI�IJ�JK�KL�LM�MN NO NP(�IQ�QR(�QS ST�TU�UV�VW�WX�XY(�XZ Z[�[\������h���h�/)h�=5h�WS���h�=8h�B�����������������������������*+,./)�65=87�9:;&lt;=8�TSWVU����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:49:32Z</structure-indexed-at>
</compound>
