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-10-yl]-3-phenylurea (CHEBI:108796)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:108796 - 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-10-yl]-3-phenylurea

Take structure to advanced search

ChEBI ID	CHEBI:108796
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-10-yl]-3-phenylurea
Stars
Downloads	Molfile

Formula	C30H36N4O6S
Net Charge	0
Average Mass	580.707
Monoisotopic Mass	580.23556
SMILES	Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)33(4)18-27-21(2)17-34(22(3)19-35)29(36)25-11-8-12-26(28(25)40-27)32-30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t21-,22+,27-/m0/s1
InChIKey	KABIQBXSOPPDGJ-XXAUWVGASA-N

ChEBI Ontology

Outgoing Relation(s)
	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-10-yl]-3-phenylurea (CHEBI:108796) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-20195	LINCS