CHEBI:96408 - N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
ChEBI ID CHEBI:96408
Stars This entity has been manually annotated by a third party.
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Formula C29H37N3O7S
Net Charge 0
Average Mass 571.687
Monoisotopic Mass 571.23522
InChI InChI=1S/C29H37N3O7S/c1-20-17-32(21(2)19-33)28(34)25-15-22(11-14-29(35)12-5-6-13-29)16-30-27(25)39-26(20)18-31(3)40(36,37)24-9-7-23(38-4)8-10-24/h7-10,15-16,20-21,26,33,35H,5-6,12-13,17-19H2,1-4H3/t20-,21-,26+/m0/s1
InChIKey BLVPPUGYXWKWFY-ISJBWFOZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3(CCCC3)O)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96408) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-7787 LINCS
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