CHEBI:108753 - 1-[[(2R,3R)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3R)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:108753
Stars This entity has been manually annotated by a third party.
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Formula C27H38N4O6S
Net Charge 0
Average Mass 546.681
Monoisotopic Mass 546.25121
InChI InChI=1S/C27H38N4O6S/c1-18(2)28-27(34)30(5)16-25-19(3)15-31(20(4)17-32)26(33)14-21-13-22(11-12-24(21)37-25)29-38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,29,32H,14-17H2,1-5H3,(H,28,34)/t19-,20-,25+/m1/s1
InChIKey LNIIROWVVFKABQ-FHAGJXEFSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3R)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:108753) is a sulfonamide (CHEBI:35358)
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