CHEBI:111738 - 3-cyclohexyl-1-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-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-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:111738
Stars This entity has been manually annotated by a third party.
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Formula C29H39FN4O6S
Net Charge 0
Average Mass 590.709
Monoisotopic Mass 590.25743
InChI InChI=1S/C29H39FN4O6S/c1-19-16-34(20(2)18-35)28(36)24-10-7-11-25(32-41(38,39)23-14-12-21(30)13-15-23)27(24)40-26(19)17-33(3)29(37)31-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,32,35H,4-6,8-9,16-18H2,1-3H3,(H,31,37)/t19-,20-,26+/m0/s1
InChIKey PZASEUVCJBPSCE-CUVVAGTFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:111738) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-23152 LINCS
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