CHEBI:101144 - 2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:101144
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H35N3O7S
Net Charge 0
Average Mass 593.693
Monoisotopic Mass 593.21957
InChI InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29+/m1/s1
InChIKey GYVRMNXHBKDJFJ-IXLXJOPFSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:101144) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12513 LINCS
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