63470 <common-name>D-Alloisoleucine, N-acetyl-</common-name> <description>D-Alloisoleucine, N-acetyl- belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C8H15N1O3 and an average molecular weight of 173.21 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>54831-20-8</cas> <pubchem-id>7036279</pubchem-id> <chemical-formula>C8H15N1O3</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">2026-04-03T00:50:28Z</created-at> <updated-at type="dateTime">2026-04-03T00:50:28Z</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@H](C)[C@@H](N=C(C)O)C(O)=O</moldb-smiles> <moldb-formula>C8H15N1O3</moldb-formula> <moldb-inchi>InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7+/m0/s1</moldb-inchi> <moldb-inchikey>JDTWZSUNGHMMJM-CAHLUQPWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">173.212</moldb-average-mass> <moldb-mono-mass type="decimal">173.105193</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>270615</chemspider-id> <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>CHEM059363</chemdb-id> <dsstox-id>DTXSID80879251</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015234</susdat-id> <iupac>(2R,3S)-2-acetamido-3-methylpentanoic 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">0</paper-count> <sync-id>CED0184311</sync-id> <structure-inchikey>JDTWZSUNGHMMJM-CAHLUQPWSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000801002000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000002004000004000000000000000000010000000000000000020000020000000000000000000000000000400000000040000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000011000200000000000400000000000000800000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200102060008000000000820000000000001040000002000c00000000c4000009100800000000001000080000004200084008c00010000443080a0000084110400000000004080102000620100000000004000003200000420000009000c2000000040020000001000d0300000200080100905e00411380000001000020044000c0c400000080002408808000810040012444014000004088000000000014300000000400000000c00002c201042c002008001080010000010000002000000000404400002008002000041008000000000000040000000000028000000000008000000000c004000000000280000000090004000200000000050440002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAACwAAAIABBgBgAAAAAQMGAGAAAAAC AgYgNAAAAAIBBAYAYAAAAAEDBiA0AAAAAQEEBwAoAAAAAwMGACgAAAADBAYA YAAAAAEDCABoAAAAAwEBBgAoAAAAAwQIAGgAAAADAQEIACgAAAADAgsAAQAB AgACAwACBAAEBQAFBigCBgcABgggBAkACQogCQsoAkIAAAAAFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:16Z</structure-indexed-at> </compound>