CHEBI:130598 - 1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea ChEBI ID CHEBI:130598 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 C32H38N4O7 Net Charge 0 Average Mass 590.668 Monoisotopic Mass 590.27405 InChI InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)25-6-5-7-26(34-32(39)33-23-9-11-24(40-4)12-10-23)30(25)43-29(20)17-35(3)16-22-8-13-27-28(14-22)42-19-41-27/h5-14,20-21,29,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,29+/m1/s1 InChIKey QWIQMHSQTXUQBK-RLCGNTSFSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO ChEBI Ontology Outgoing 1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea (CHEBI:130598) is a ureas (CHEBI:47857) Manual Xref Database LSM-42147 LINCS View more database links