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CHEBI:234546 - isoindolamide A zwitterion

ChEBI IDCHEBI:234546
ChEBI Nameisoindolamide A zwitterion
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H26ClN3O6
Net Charge0
Average Mass427.885
Monoisotopic Mass427.15101
SMILESCC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCOc1cc(O)c(Cl)c2c1C(=O)N[C@@H]2C)C(=O)[O-]
InChIInChI=1S/C19H26ClN3O6/c1-8(2)6-10(21)17(25)23-11(19(27)28)4-5-29-13-7-12(24)16(20)14-9(3)22-18(26)15(13)14/h7-11,24H,4-6,21H2,1-3H3,(H,22,26)(H,23,25)(H,27,28)/t9-,10+,11+/m1/s1
InChIKeyXWKXTDKFCXNAPM-VWYCJHECSA-N
ChEBI Ontology
Outgoing Relation(s)
isoindolamide A zwitterion (CHEBI:234546) is a dipeptide zwitterion (CHEBI:90799)
isoindolamide A zwitterion (CHEBI:234546) is a isoindoles (CHEBI:24897)
Synonyms  Source
L-leucyl-(O-chloroisoindolinone)-L-homoserineSUBMITTER
L-Leu-L-Cl-IsdSUBMITTER
UniProt Name  Source
isoindolamide AUniProt