CHEBI:113736 - 1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

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ChEBI Name 1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea ChEBI ID CHEBI:113736 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H38N4O6S Net Charge 0 Average Mass 546.681 Monoisotopic Mass 546.25121 InChI InChI=1S/C27H38N4O6S/c1-17(2)28-27(34)29-21-9-12-24-23(13-21)26(33)31(20(5)16-32)14-19(4)25(37-24)15-30(6)38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,32H,14-16H2,1-6H3,(H2,28,29,34)/t19-,20+,25-/m0/s1 InChIKey PKTRFCGFRBZOLH-DFIYOIEZSA-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)C)[C@H](C)CO ChEBI Ontology Outgoing 1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:113736) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-25168 LINCS View more database links