[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O5/c1-17(24(31)28-21-2-4-22(5-3-21)29-6-8-33-9-7-29)34-23(30)16-27-25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,17-20H,6-16H2,1H3,(H,27,32)(H,28,31)/t17-,18?,19?,20?,26?/m1/s1