CHEBI:108790 - 4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
ChEBI ID CHEBI:108790
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H41FN4O6S
Net Charge 0
Average Mass 592.725
Monoisotopic Mass 592.27308
InChI InChI=1S/C29H41FN4O6S/c1-20-17-34(21(2)19-35)29(37)16-22-15-24(31-28(36)7-6-14-32(3)4)10-13-26(22)40-27(20)18-33(5)41(38,39)25-11-8-23(30)9-12-25/h8-13,15,20-21,27,35H,6-7,14,16-19H2,1-5H3,(H,31,36)/t20-,21-,27-/m0/s1
InChIKey QROKXOKLOVAMIJ-IZVMNLJQSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:108790) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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