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CHEBI:41878 - 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER

Default Structure
ChEBI IDCHEBI:41878
ChEBI Name3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H31N3O3
Net Charge0
Average Mass433.552
Monoisotopic Mass433.23654
SMILES[H]c1c([H])c([C@@]([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])c2c([H])c([H])c3c([H])c([H])c(C([H])(N([H])[H])N([H])[H])c([H])c3c2[H])c([H])c([H])c1O[C@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C26H31N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-25,29H,2,11-12,14,16,27-28H2,1H3/t23-,24-/m0/s1
InChIKeyLOYXUXZQQVEADT-ZEQRLZLVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER (CHEBI:41878) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTERPDBeChem
ethyl (2S)-3-[7-(diaminomethyl)naphthalen-2-yl]-2-[4-(pyrrolidin-3-yloxy)phenyl]propanoatePDBeChem
Manual XrefsDatabases
DCHPDBeChem