CHEBI:108783 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
ChEBI ID CHEBI:108783
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H40N4O7
Net Charge 0
Average Mass 604.695
Monoisotopic Mass 604.28970
InChI InChI=1S/C33H40N4O7/c1-21-16-37(22(2)19-38)32(39)14-24-13-25(34-33(40)35-26-8-12-29-30(15-26)43-20-42-29)7-11-28(24)44-31(21)18-36(3)17-23-5-9-27(41-4)10-6-23/h5-13,15,21-22,31,38H,14,16-20H2,1-4H3,(H2,34,35,40)/t21-,22-,31-/m0/s1
InChIKey VJXHRMPDQSPMOP-CYYCZYJVSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)CC5=CC=C(C=C5)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:108783) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-20182 LINCS
View more database links