CHEBI:127989 - 2-[(2S,4aS,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-propylacetamide

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ChEBI Name 2-[(2S,4aS,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-propylacetamide ChEBI ID CHEBI:127989 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 C25H31N3O5S Net Charge 0 Average Mass 485.598 Monoisotopic Mass 485.19844 InChI InChI=1S/C25H31N3O5S/c1-3-10-26-23(29)13-17-7-8-20-22(33-17)15-32-21-9-6-16(12-19(21)25(31)28(20)2)27-24(30)14-18-5-4-11-34-18/h4-6,9,11-12,17,20,22H,3,7-8,10,13-15H2,1-2H3,(H,26,29)(H,27,30)/t17-,20-,22-/m0/s1 InChIKey OTQDEBLEGXOUAD-XJABCFGWSA-N SMILES CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)N2C ChEBI Ontology Outgoing 2-[(2S,4aS,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-propylacetamide (CHEBI:127989) is a aromatic amide (CHEBI:62733) Manual Xref Database LSM-39545 LINCS View more database links