[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H31FN2O4 MolecularWeight: 430.512343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C24H31FN2O4/c1-14-3-4-19(10-20(14)25)27-22(29)15(2)31-21(28)5-6-26-23(30)24-11-16-7-17(12-24)9-18(8-16)13-24/h3-4,10,15-18H,5-9,11-13H2,1-2H3,(H,26,30)(H,27,29)/t15-,16?,17?,18?,24?/m0/s1