CHEBI:100312 - 2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester ChEBI ID CHEBI:100312 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 C23H25ClN2O7S Net Charge 0 Average Mass 508.974 Monoisotopic Mass 508.10710 InChI InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18+,20-/m0/s1 InChIKey QTFAPORQFWHYLC-CVAIRZPRSA-N SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC ChEBI Ontology Outgoing 2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100312) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11687 LINCS View more database links