CHEBI:95230 - N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

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ChEBI Name N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide ChEBI ID CHEBI:95230 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 C33H37FN4O6S Net Charge 0 Average Mass 636.736 Monoisotopic Mass 636.24178 InChI InChI=1S/C33H37FN4O6S/c1-21-17-38(22(2)20-39)33(41)28-16-25(35-32(40)15-23-18-36(3)29-8-6-5-7-27(23)29)11-14-30(28)44-31(21)19-37(4)45(42,43)26-12-9-24(34)10-13-26/h5-14,16,18,21-22,31,39H,15,17,19-20H2,1-4H3,(H,35,40)/t21-,22-,31+/m1/s1 InChIKey FJHHLBXTRXTTFF-ZGPNTQEDSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)S(=O)(=O)C5=CC=C(C=C5)F)[C@H](C)CO ChEBI Ontology Outgoing N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:95230) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-6536 LINCS View more database links