CHEBI:113622 - 3-cyclohexyl-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-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-cyclohexyl-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:113622
Stars This entity has been manually annotated by a third party.
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Formula C31H43N5O6
Net Charge 0
Average Mass 581.704
Monoisotopic Mass 581.32133
InChI InChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)26-16-24(33-30(39)32-23-10-13-25(41-4)14-11-23)12-15-27(26)42-28(20)18-35(3)31(40)34-22-8-6-5-7-9-22/h10-16,20-22,28,37H,5-9,17-19H2,1-4H3,(H,34,40)(H2,32,33,39)/t20-,21-,28+/m1/s1
InChIKey RJROVUFZJIAJHT-CJYOKPGZSA-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)C(=O)NC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113622) is a ureas (CHEBI:47857)
Manual Xref Database
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