351014 <common-name>Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate</common-name> <description>Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate has the chemical formula C30H48F6N4O12S2. With an average molecular weight of 834.80 g/mol, Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate is a heavy molecule.</description> <cas>255387-46-3</cas> <pubchem-id>11262952</pubchem-id> <chemical-formula>C30H48F6N4O12S2</chemical-formula> <weight>834.8</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">2026-08-31T16:27:24Z</created-at> <updated-at type="dateTime">2026-08-31T16:27:24Z</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>COC(CCCC(C(=O)OC)NC(=O)C(CCSSCCC(C(=O)NC(CCCC(OC)OC)C(=O)OC)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)OC</moldb-smiles> <moldb-formula>C30H48F6N4O12S2</moldb-formula> <moldb-inchi>InChI=1S/C30H48F6N4O12S2/c1-47-21(48-2)11-7-9-19(25(43)51-5)37-23(41)17(39-27(45)29(31,32)33)13-15-53-54-16-14-18(40-28(46)30(34,35)36)24(42)38-20(26(44)52-6)10-8-12-22(49-3)50-4/h17-22H,7-16H2,1-6H3,(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t17-,18-,19-,20-/m0/s1</moldb-inchi> <moldb-inchikey>ADMOWLPXLZXMOA-MUGJNUQGSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">834.2614343</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM346907</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>Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate</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" nil="true"/> <sync-id>CED0301317</sync-id> <structure-inchikey>ADMOWLPXLZXMOA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000002000000800000002c00000030000060000000008000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000400000000080000000020000008000100000000009000000000000000010000000040000000000000000000000000080000000000400010008000000040000000000002000000000080200002000000000000000000000000000100000000000081000000000040000000000000040000000000000000000000000000000000000000200010000000000000000000000000000000000000000000000000000000000000000000010400800000000000000000000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������6���5���€���`������� ������`�������`�������`�������`�������`�������(�������(�������(�������`�������h��������(�������(�������`�������`�������`������� ������ ������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������`������� ������`������� ������`�������(�������(�������(�������`�������h��������(�������(������� ���� � ���� � ���� � ������h��������(�������(������� ���� � ���� � ���� � ������ ������`�����������������������������(�� ������ � (������������������������������(��� ���������������������� � !��"�"#(�"$ $%��&�&' '((�')�)*�)+�),��-�-. ./(�.0�01�02�03��4�45�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:58Z</structure-indexed-at> </compound>