1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea (CHEBI:124110)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124110 - 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea

Take structure to advanced search

ChEBI ID	CHEBI:124110
ChEBI Name	1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea
Stars
Downloads	Molfile

Formula	C29H32ClFN4O6S
Net Charge	0
Average Mass	619.115
Monoisotopic Mass	618.17151
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C29H32ClFN4O6S/c1-18-15-35(19(2)17-36)28(37)25-14-23(33-29(38)32-22-8-6-21(31)7-9-22)10-13-26(25)41-27(18)16-34(3)42(39,40)24-11-4-20(30)5-12-24/h4-14,18-19,27,36H,15-17H2,1-3H3,(H2,32,33,38)/t18-,19-,27-/m0/s1
InChIKey	PVQMHFFEVRVVRW-BATDWUPUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea (CHEBI:124110) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-35552	LINCS