CHEBI:103790 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

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ChEBI Name N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
ChEBI ID CHEBI:103790
Stars This entity has been manually annotated by a third party.
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Formula C29H41N3O5S
Net Charge 0
Average Mass 543.720
Monoisotopic Mass 543.27669
InChI InChI=1S/C29H41N3O5S/c1-21-17-32(22(2)20-33)29(34)26-16-24(30-38(35,36)25-12-8-5-9-13-25)14-15-27(26)37-28(21)19-31(3)18-23-10-6-4-7-11-23/h5,8-9,12-16,21-23,28,30,33H,4,6-7,10-11,17-20H2,1-3H3/t21-,22+,28-/m1/s1
InChIKey DAPIBIRMBOQELH-RZIGYZOXSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:103790) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-15134 LINCS
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