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CHEBI:112767 - (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

ChEBI IDCHEBI:112767
ChEBI Name(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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DownloadsMolfile
FormulaC20H21N3O4
Net Charge0
Average Mass367.405
Monoisotopic Mass367.15321
SMILESO=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21N3O4/c24-19(23-15-5-6-17-18(10-15)27-8-7-26-17)12-22-20(25)16-9-13-3-1-2-4-14(13)11-21-16/h1-6,10,16,21H,7-9,11-12H2,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyGFBFEDLXWFBXLW-INIZCTEOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CHEBI:112767) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-24177LINCS