N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide (CHEBI:130635)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130635 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:130635
ChEBI Name	N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
Stars
Downloads	Molfile

Formula	C30H43N3O5S
Net Charge	0
Average Mass	557.757
Monoisotopic Mass	557.29234
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)O3)cc1
InChI	InChI=1S/C30H43N3O5S/c1-21-10-13-26(14-11-21)39(36,37)31-25-12-15-28-27(16-25)30(35)33(23(3)20-34)17-22(2)29(38-28)19-32(4)18-24-8-6-5-7-9-24/h10-16,22-24,29,31,34H,5-9,17-20H2,1-4H3/t22-,23-,29-/m1/s1
InChIKey	NZHWHUJBRQKMJV-VDWGHMIBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide (CHEBI:130635) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-42184	LINCS