135418 <common-name>Acetyl hexapeptide-3</common-name> <description>Acetyl hexapeptide-3 is a compound with the formula C35H62N14O11S. Acetyl hexapeptide-3 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 887.03 g/mol, Acetyl hexapeptide-3 is a heavy molecule. In industrial applications, this substance serves as a humectant as well as a softener and conditioner.</description> <cas>616204-22-9</cas> <pubchem-id>71587772</pubchem-id> <chemical-formula>C35H62N14O11S</chemical-formula> <weight>887</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">2026-04-14T18:20:43Z</created-at> <updated-at type="dateTime">2026-08-22T11:49:03Z</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>DB11709</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>CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=C)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O</moldb-smiles> <moldb-formula>C35H62N14O11S</moldb-formula> <moldb-inchi>InChI=1S/C35H62N14O11S/c1-18(20(45-19(2)50)9-12-27(52)53)44-23(10-13-28(54)55)31(58)49-25(14-17-61-3)33(60)48-24(8-11-26(36)51)32(59)47-22(7-5-16-43-35(40)41)30(57)46-21(29(37)56)6-4-15-42-34(38)39/h20-25,44H,1,4-17H2,2-3H3,(H2,36,51)(H2,37,56)(H,45,50)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,52,53)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t20-,21-,22-,23-,24-,25-/m0/s1</moldb-inchi> <moldb-inchikey>AJLNZWYOJAWBCR-OOPVGHQCSA-N</moldb-inchikey> <moldb-average-mass type="decimal">887.03</moldb-average-mass> <moldb-mono-mass type="decimal">886.444320046</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-9.8</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>CHEM131311</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>(4S)-5-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]amino}-4-acetamidohex-5-enoic 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>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">54</paper-count> <sync-id>CED0022954</sync-id> <structure-inchikey>AJLNZWYOJAWBCR-OOPVGHQCSA-N</structure-inchikey> <structure-fingerprint>40100000000000000000800000000c00000800000000000004000000000004000000000000000000000000000000004004200000000000000000000001000000000000004000000400000000000100000020001000000000080000009000000000000002010000000010000000000002000000000000001000000100000000428000000040000000000082000000000080001002000000080000000000000000010000000000000000000200000040000000000000100000000000000000000000000208000000000000200000200000000000000002000000400080000000000000000000000000008008000020010400000200010000000000000080010000</structure-fingerprint> 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