141802 <common-name>Irucalantide</common-name> <description>Irucalantide is a compound with the chemical formula C76H106N20O18S3. With an average molecular weight of 1,684 g/mol, Irucalantide is a heavy molecule.</description> <cas>1631160-47-8</cas> <pubchem-id nil="true"/> <chemical-formula>C76H106N20O18S3</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">2026-04-15T18:16:19Z</created-at> <updated-at type="dateTime">2026-05-14T20:49:09Z</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>DB21654</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@@]12CCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CSCC1=CC3=CC(CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC4=CN=CN4)NC[C@H](C)NC(=O)[C@]([H])(CSC3)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC2=O)C(N)=O)=C1)NC(C)=O</moldb-smiles> <moldb-formula>C76H106N20O18S3</moldb-formula> <moldb-inchi>InChI=1S/C76H106N20O18S3/c1-40(2)22-53-68(107)94-58(64(78)103)36-115-33-45-23-46-25-47(24-45)35-117-38-60(72(111)85-41(3)30-83-52(28-48-31-81-39-84-48)67(106)88-51(17-18-62(77)100)66(105)90-55(29-63(101)102)70(109)89-53)95-65(104)50(12-8-9-20-82-76(79)80)87-69(108)54(26-44-13-15-49(99)16-14-44)91-74(113)61-19-21-96(61)75(114)56(27-43-10-6-5-7-11-43)92-71(110)57(32-97)93-73(112)59(37-116-34-46)86-42(4)98/h5-7,10-11,13-16,23-25,31,39-41,50-61,83,97,99H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,100)(H2,78,103)(H,81,84)(H,85,111)(H,86,98)(H,87,108)(H,88,106)(H,89,109)(H,90,105)(H,91,113)(H,92,110)(H,93,112)(H,94,107)(H,95,104)(H,101,102)(H4,79,80,82)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61+/m0/s1</moldb-inchi> <moldb-inchikey>LTTOZAFALSJSEY-MFCUTUECSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1683.99</moldb-average-mass> <moldb-mono-mass type="decimal">1682.715610175</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM137695</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 nil="true"/> <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">0</paper-count> <sync-id>CED0182031</sync-id> <structure-inchikey>LTTOZAFALSJSEY-GEIPQBTESA-N</structure-inchikey> <structure-fingerprint>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</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAB1AAAAewAAAIABBiA0AAAAAgEEBgBgAAAA AgIGAGAAAAACAgcAKAAAAAMDBgAoAAAAAwQIACgAAAADAgYgNAAAAAIBBAYA YAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBiA0AAAA AgEEBgBgAAAAAgIIAGAAAAABAQcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIG IDQAAAACAQQGAGAAAAACAhAAIAAAAAIGAGAAAAACAgZAKAAAAAMEBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAYAYAAAAAICEAAgAAAAAgYA YAAAAAICBiA0AAAAAgEEBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgYgNAAA AAIBBAYAYAAAAAICBgBgAAAAAwEGAGAAAAABAwYAYAAAAAEDBwBoAAAAAwIB BgAoAAAAAwQIACgAAAADAgYgNAAAAAIBBAYAYAAAAAICBgAoAAAAAwQIAGgA AAADAQEIACgAAAADAgcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIGIDQAAAAC AQQGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQHAGgAAAADAQIIACgAAAADAgcA aAAAAAMCAQYAKAAAAAMECAAoAAAAAwIGIDQAAAACAQQGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBB0AoAAAAAwMGQGgAAAADAwEHQDgAAAADAQMHAGAAAAAC AQYAYAAAAAICBiA0AAAAAgEEBgBgAAAAAQMHAGgAAAADAgEGACgAAAADBAgA KAAAAAMCBiA0AAAAAgEEBgBgAAAAAgIQACAAAAACBgBgAAAAAgIHAGgAAAAD AgEGACgAAAADBAgAKAAAAAMCBiA0AAAAAgEEBgBgAAAAAgIGAGAAAAACAgYA YAAAAAICBgBgAAAAAgIHAGgAAAADAgEGACgAAAADBAcAaAAAAAMBAgcAaAAA AAMCAQcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIGIDQAAAACAQQGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQIAGgAAAADAQEG QGgAAAADAwEGQGgAAAADAwEHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBgAo AAAAAwQHAGgAAAADAQIIACgAAAADAgZAaAAAAAMDAQcAaAAAAAMCAQYAKAAA AAMEBgBgAAAAAQMIACgAAAADAgsAAQABAgACAwADBCAEBSgCBAYABgcABwgA CAloDAkKaAwKC2gMCwxoDAwNaAwGDgAODyAPECgCDxEAERIAEhMAERQAFBUg FRYoAhUXABcYABgZABkaABobABscaAwcHWgMHR5oDB4faAwfIAAgIQAhIgAi IwAjJAAkJSAlJigCJScAJygAKCkAKSoAKSsAJywALC0gLS4oAi0vAC8wADAx ADEyIDEzKAIvNAA0NSA1NigCNTcANzgAODkAOToAOjsgOjwoAjc9AD0+ID4/ KAI+QABAQQBBQgBCQ2gMQ0RoDERFaAxFRmgMQEcAR0gASEkASUoASUsAS0wg TE0oAkxOAE5PAE9QAFBRAE5SAFJTIFNUKAJTVQBVVgBWVwBXWABYWQBZWgBa WyBbXCBbXSgCVV4AXl8gX2AoAl9hAGFiAGJjAGNkaAxkZWgMZWZoDGZnIGZo aAxoaWgMYWoAamsga2woAiNtAG1uIG1vKAIfcGgMF3EAcXIgcnMAcnQoAgMA AA0IaAxwG2gMawAAUR0AaWNoDEZCaAxCBwAAAAQBAgMAHAQGDg8RFBUXGBka GxwdUVBPTlJTVV5fYWprAAMGCQoLDA0IBhwdHh9wGxwgISIjJCUnLC0vNDU3 PT5AR0hJS0xOT1BRHR4fBUNCRkVEBmRlZmhpYxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:30Z</structure-indexed-at> </compound>