CHEBI:129530 - 3-cyclohexyl-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-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-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:129530
Stars This entity has been manually annotated by a third party.
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Formula C27H43N5O5
Net Charge 0
Average Mass 517.662
Monoisotopic Mass 517.32642
InChI InChI=1S/C27H43N5O5/c1-17(2)28-26(35)29-21-11-12-23-22(13-21)25(34)32(19(4)16-33)14-18(3)24(37-23)15-31(5)27(36)30-20-9-7-6-8-10-20/h11-13,17-20,24,33H,6-10,14-16H2,1-5H3,(H,30,36)(H2,28,29,35)/t18-,19+,24+/m1/s1
InChIKey ZJSYKXMVEOUFIY-IMWIBFENSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:129530) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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