CHEBI:123859 - 3-cyclohexyl-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-cyclohexyl-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:123859
Stars This entity has been manually annotated by a third party.
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Formula C25H40N4O6S
Net Charge 0
Average Mass 524.675
Monoisotopic Mass 524.26686
InChI InChI=1S/C25H40N4O6S/c1-17-14-29(18(2)16-30)24(31)13-19-12-21(27-36(4,33)34)10-11-22(19)35-23(17)15-28(3)25(32)26-20-8-6-5-7-9-20/h10-12,17-18,20,23,27,30H,5-9,13-16H2,1-4H3,(H,26,32)/t17-,18-,23+/m0/s1
InChIKey FESXFJPCXHJRKN-IUKKYPGJSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:123859) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35301 LINCS
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