CHEBI:124410 - N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:124410
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H39N3O6S
Net Charge 0
Average Mass 545.693
Monoisotopic Mass 545.25596
InChI InChI=1S/C28H39N3O6S/c1-19-15-31(20(2)18-32)28(33)14-22-13-23(29-38(34,35)25-10-8-24(36-4)9-11-25)7-12-26(22)37-27(19)17-30(3)16-21-5-6-21/h7-13,19-21,27,29,32H,5-6,14-18H2,1-4H3/t19-,20-,27+/m0/s1
InChIKey UJDQBCQJOGKHTG-OWOAZTCBSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4CC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide (CHEBI:124410) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35852 LINCS
View more database links