CHEBI:108720 - 1-[[(2R,3S)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3S)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:108720
Stars This entity has been manually annotated by a third party.
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Formula C26H35ClN4O6S
Net Charge 0
Average Mass 567.099
Monoisotopic Mass 566.19658
InChI InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)30(5)14-23-17(3)13-31(18(4)15-32)25(33)21-7-6-8-22(24(21)37-23)29-38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,29,32H,13-15H2,1-5H3,(H,28,34)/t17-,18+,23-/m0/s1
InChIKey ROXPMFGZZQEKHB-IXFSTUDKSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3S)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:108720) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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