Terminology Service for NFDI4Health
(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
Go to external page
http://purl.obolibrary.org/obo/CHEBI_111728
Term info
Label
(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
Subsets
2_STAR
charge
0
formula
C19H31N3O3
has obo namespace
chebi_ontology
id
CHEBI:111728
inchi
InChI=1S/C19H31N3O3/c1-13-11-22(14(2)12-23)19(24)9-15-8-16(21(4)5)6-7-17(15)25-18(13)10-20-3/h6-8,13-14,18,20,23H,9-12H2,1-5H3/t13-,14-,18+/m0/s1
inchikey
WYKJOBISBUCKND-SUNYJGFJSA-N
mass
349.468
monoisotopicmass
349.23654
smiles
C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CNC)[C@@H](C)CO