CHEBI:108694 - (2R,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
ChEBI ID CHEBI:108694
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H25N3O3
Net Charge 0
Average Mass 307.389
Monoisotopic Mass 307.18959
InChI InChI=1S/C16H25N3O3/c1-10-8-19(11(2)9-20)16(21)12-5-4-6-13(17)15(12)22-14(10)7-18-3/h4-6,10-11,14,18,20H,7-9,17H2,1-3H3/t10-,11+,14+/m1/s1
InChIKey CZXYLKJVFUIZEK-SUNKGSAMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N)O[C@H]1CNC)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108694) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-20093 LINCS
View more database links