CHEBI:124465 - 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
ChEBI ID CHEBI:124465
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H36N4O6S
Net Charge 0
Average Mass 580.697
Monoisotopic Mass 580.23556
InChI InChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)32-26-12-8-11-25-28(26)40-27(21(2)17-34(29(25)36)22(3)19-35)18-33(4)30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,32,35H,17-19H2,1-4H3,(H,31,37)/t21-,22-,27-/m1/s1
InChIKey IAQUYCHTUWTPPM-VHFRWLAGSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H]1CN(C)C(=O)NC4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:124465) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35907 LINCS
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