CHEBI:124203 - 1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:124203
Stars This entity has been manually annotated by a third party.
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Formula C26H35FN4O6S
Net Charge 0
Average Mass 550.645
Monoisotopic Mass 550.22613
InChI InChI=1S/C26H35FN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23+/m0/s1
InChIKey YHAGKJIQSXBQKF-IUKKYPGJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:124203) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35645 LINCS
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