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CHEBI:93594 - 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester
| Formula | C40H53FN4O8S |
| Net Charge | 0 |
| Average Mass | 768.949 |
| Monoisotopic Mass | 768.35681 |
| SMILES | C[C@@H]1CN([C@@H](C)COC(=O)C(C)(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C40H53FN4O8S/c1-27-24-45(28(2)26-52-38(47)40(4,5)6)37(46)34-23-32(43-39(48)42-31-14-9-8-10-15-31)18-21-35(34)53-29(3)13-11-12-22-51-36(27)25-44(7)54(49,50)33-19-16-30(41)17-20-33/h8-10,14-21,23,27-29,36H,11-13,22,24-26H2,1-7H3,(H2,42,43,48)/t27-,28+,29+,36+/m1/s1 |
| InChIKey | JYLJYHDOXFQHEK-WVEXKQSWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester (CHEBI:93594) is a azamacrocycle (CHEBI:52898) |
| 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester (CHEBI:93594) is a lactam (CHEBI:24995) |
| 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester (CHEBI:93594) is a pivalate ester (CHEBI:50784) |
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