CHEBI:100617 - 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide ChEBI ID CHEBI:100617 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 C35H35N3O5S Net Charge 0 Average Mass 609.737 Monoisotopic Mass 609.22974 InChI InChI=1S/C35H35N3O5S/c1-38-30-15-14-27(19-33(39)36-21-23-9-11-25(12-10-23)24-6-3-2-4-7-24)43-32(30)22-42-31-16-13-26(18-29(31)35(38)41)37-34(40)20-28-8-5-17-44-28/h2-13,16-18,27,30,32H,14-15,19-22H2,1H3,(H,36,39)(H,37,40)/t27-,30+,32-/m0/s1 InChIKey DRCDGYYITPZHEH-KUYURNMDSA-N SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6 ChEBI Ontology Outgoing 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:100617) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-11991 LINCS View more database links