CHEBI:111720 - N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide ChEBI ID CHEBI:111720 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H39FN4O7S Net Charge 0 Average Mass 606.708 Monoisotopic Mass 606.25235 InChI InChI=1S/C29H39FN4O7S/c1-20-17-34(21(2)19-35)29(37)25-16-23(31-28(36)10-11-33-12-14-40-15-13-33)6-9-26(25)41-27(20)18-32(3)42(38,39)24-7-4-22(30)5-8-24/h4-9,16,20-21,27,35H,10-15,17-19H2,1-3H3,(H,31,36)/t20-,21+,27-/m0/s1 InChIKey NKFYFMCKJSWXRC-ISCCLHIJSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO ChEBI Ontology Outgoing N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111720) has functional parent β-amino acid (CHEBI:33706) N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111720) is a organonitrogen compound (CHEBI:35352) N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111720) is a organooxygen compound (CHEBI:36963) Manual Xref Database LSM-23134 LINCS View more database links