CHEBI:108707 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:108707
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H43N3O6S
Net Charge 0
Average Mass 573.746
Monoisotopic Mass 573.28726
InChI InChI=1S/C30H43N3O6S/c1-21-17-33(22(2)20-34)30(35)26-11-8-12-27(31-40(36,37)25-15-13-24(38-4)14-16-25)29(26)39-28(21)19-32(3)18-23-9-6-5-7-10-23/h8,11-16,21-23,28,31,34H,5-7,9-10,17-20H2,1-4H3/t21-,22+,28-/m0/s1
InChIKey VVRSDBHKTRDHNY-TYPXCFOJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:108707) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20106 LINCS
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