CHEBI:108889 - 4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
ChEBI ID CHEBI:108889
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H42ClN3O5S
Net Charge 0
Average Mass 592.192
Monoisotopic Mass 591.25337
InChI InChI=1S/C30H42ClN3O5S/c1-21-17-34(22(2)20-35)30(36)16-24-15-26(32-40(37,38)27-12-9-25(31)10-13-27)11-14-28(24)39-29(21)19-33(3)18-23-7-5-4-6-8-23/h9-15,21-23,29,32,35H,4-8,16-20H2,1-3H3/t21-,22+,29+/m0/s1
InChIKey YELAEPJECDEDIZ-DKGMKSHISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing 4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide (CHEBI:108889) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20288 LINCS
View more database links