CHEBI:128036 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
ChEBI ID CHEBI:128036
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H35N3O6S
Net Charge 0
Average Mass 505.629
Monoisotopic Mass 505.22466
InChI InChI=1S/C25H35N3O6S/c1-17-13-28(18(2)16-29)25(30)21-7-6-8-22(26-35(5,31)32)24(21)34-23(17)15-27(3)14-19-9-11-20(33-4)12-10-19/h6-12,17-18,23,26,29H,13-16H2,1-5H3/t17-,18-,23+/m0/s1
InChIKey IAKBBZLEORGFOS-IUKKYPGJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:128036) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-39592 LINCS
View more database links