CHEBI:102628 - 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]acetic acid methyl ester

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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]acetic acid methyl ester ChEBI ID CHEBI:102628 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 C23H26N2O6S Net Charge 0 Average Mass 458.529 Monoisotopic Mass 458.15116 InChI InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20-/m0/s1 InChIKey VIAXYKVUXVILCJ-CVAIRZPRSA-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)OC 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]acetic acid methyl ester (CHEBI:102628) is a aromatic amide (CHEBI:62733) Manual Xref Database LSM-13975 LINCS View more database links