CHEBI:108710 - 3-(4-fluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-fluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:108710
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H36FN5O5
Net Charge 0
Average Mass 613.680
Monoisotopic Mass 613.27005
InChI InChI=1S/C34H36FN5O5/c1-21-18-40(22(2)20-41)32(42)27-11-7-13-29(38-33(43)37-28-12-6-9-23-8-4-5-10-26(23)28)31(27)45-30(21)19-39(3)34(44)36-25-16-14-24(35)15-17-25/h4-17,21-22,30,41H,18-20H2,1-3H3,(H,36,44)(H2,37,38,43)/t21-,22-,30-/m1/s1
InChIKey INJMWLLCIWTMDU-NPKFRGRUSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)C(=O)NC5=CC=C(C=C5)F)[C@H](C)CO
ChEBI Ontology
Outgoing 3-(4-fluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:108710) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-20109 LINCS
View more database links