CHEBI:234549 - isoindolamide B zwitterion

ChEBI IDCHEBI:234549
ChEBI Nameisoindolamide B zwitterion
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H29N5O8
Net Charge0
Average Mass479.490
Monoisotopic Mass479.20161
SMILESC[C@H](NC(=O)[C@H]([NH3+])CCOc1cc(O)cc2c1C(=O)N[C@@H]2C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C21H29N5O8/c1-9-12-7-11(27)8-15(17(12)20(31)24-9)34-6-5-13(22)19(30)25-10(2)18(29)26-14(21(32)33)3-4-16(23)28/h7-10,13-14,27H,3-6,22H2,1-2H3,(H2,23,28)(H,24,31)(H,25,30)(H,26,29)(H,32,33)/t9-,10+,13-,14+/m1/s1
InChIKeyXRXXPVMIELNFPB-QOBDMFJFSA-N
ChEBI Ontology
Outgoing Relation(s)
isoindolamide B zwitterion (CHEBI:234549) is a isoindoles (CHEBI:24897)
isoindolamide B zwitterion (CHEBI:234549) is a tripeptide zwitterion (CHEBI:155837)
Synonyms  Source
D-Isd-L-Ala-L-Gln zwitterionSUBMITTER
O-isoindolinone-L-homoseryl-L-alanyl-L-glutamine zwitterionSUBMITTER
UniProt Name  Source
isoindolamide BUniProt
Citations