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

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29FN2O4/c1-14(21(28)26-19-4-2-18(24)3-5-19)30-20(27)6-7-25-22(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,14-17H,6-13H2,1H3,(H,25,29)(H,26,28)/t14-,15?,16?,17?,23?/m0/s1