CHEBI:100079 - 2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

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ChEBI Name 2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide ChEBI ID CHEBI:100079 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H38N4O6S Net Charge 0 Average Mass 570.702 Monoisotopic Mass 570.25121 InChI InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25+,27-/m0/s1 InChIKey IJWLFSVDDGQQHF-CWWSAELMSA-N SMILES CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C ChEBI Ontology Outgoing 2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide (CHEBI:100079) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11458 LINCS View more database links