CHEBI:124674 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
ChEBI ID CHEBI:124674
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H40N4O7S
Net Charge 0
Average Mass 540.675
Monoisotopic Mass 540.26177
InChI InChI=1S/C25H40N4O7S/c1-18-15-29(19(2)17-30)25(32)14-20-13-21(26-24(31)7-8-28-9-11-35-12-10-28)5-6-22(20)36-23(18)16-27(3)37(4,33)34/h5-6,13,18-19,23,30H,7-12,14-17H2,1-4H3,(H,26,31)/t18-,19+,23+/m1/s1
InChIKey BYWNQMINTGNSGE-MSYCTHLASA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124674) has functional parent β-amino acid (CHEBI:33706)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124674) is a organonitrogen compound (CHEBI:35352)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124674) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-36116 LINCS
View more database links