CHEBI:103042 - 2-[(2R,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-propan-2-ylphenyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2R,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-propan-2-ylphenyl)acetamide
ChEBI ID CHEBI:103042
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H34ClN3O6S
Net Charge 0
Average Mass 612.138
Monoisotopic Mass 611.18568
InChI InChI=1S/C31H34ClN3O6S/c1-19(2)20-7-6-8-21(15-20)33-30(36)17-23-12-13-26-28(41-23)18-40-27-14-11-22(16-24(27)31(37)35(26)3)34-42(38,39)29-10-5-4-9-25(29)32/h4-11,14-16,19,23,26,28,34H,12-13,17-18H2,1-3H3,(H,33,36)/t23-,26+,28-/m1/s1
InChIKey ZFXZNAWVDNVUMV-RXWNPYQGSA-N
SMILES CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=O)N3C
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-propan-2-ylphenyl)acetamide (CHEBI:103042) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-14388 LINCS
View more database links