CHEBI:108777 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:108777
Stars This entity has been manually annotated by a third party.
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Formula C20H29N5O5S
Net Charge 0
Average Mass 451.542
Monoisotopic Mass 451.18894
InChI InChI=1S/C20H29N5O5S/c1-13-9-25(14(2)11-26)20(27)15-6-5-7-16(19(15)30-17(13)8-21-3)23-31(28,29)18-10-24(4)12-22-18/h5-7,10,12-14,17,21,23,26H,8-9,11H2,1-4H3/t13-,14+,17-/m0/s1
InChIKey KOTZITAVGRXIOH-VBQJREDUSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:108777) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20176 LINCS
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