308961 <common-name>(2s)-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methyl-2-(methylamino)butanamide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>91115345</pubchem-id> <chemical-formula>C17H25N3O2</chemical-formula> <weight>303.4</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">2026-08-29T03:24:23Z</created-at> <updated-at type="dateTime">2026-08-29T03:24:23Z</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>CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)CO)NC</moldb-smiles> <moldb-formula>C17H25N3O2</moldb-formula> <moldb-inchi>InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1</moldb-inchi> <moldb-inchikey>OQYFURUBPANIIX-BBRMVZONSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">303.1946771</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</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>CHEM304854</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)-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methyl-2-(methylamino)butanamide</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">1</paper-count> <sync-id>CED0069487</sync-id> <structure-inchikey>OQYFURUBPANIIX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000500000000000000000000000002000000000040001000000000008000000008000000000000000000000000000020000010000000000000000400000000000000000020000000000000000000000000000000000000030000000000000000000000000100000000000002000000000000000000000040000000800010220000000080000000010100000000000000000000000000000000000004040000080000000400020000000800010000000000000000000000040000000100000000000000000000000000000000000200000401000000000000000000000041000000100400004000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������(�������h��������`�������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������`�������`�������`�������`��������������������(��� ������� � h� �h���h�� h� �h���h���h���h�������������� h���h�B����� ���� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:48Z</structure-indexed-at> </compound>