[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]propanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)propanoate CAS Name: 3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)propanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)propanoate Traditional Name: 3-(6,8-diketo-7,9-diazaspiro[4.4]nonan-7-yl)propionic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCN2C(=O)C3(CCCC3)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCN2C(=O)C3(CCCC3)NC2=O

InChI

InChI=1S/C20H25N3O5/c1-13-5-7-15(8-6-13)21-17(25)14(2)28-16(24)9-12-23-18(26)20(22-19(23)27)10-3-4-11-20/h5-8,14H,3-4,9-12H2,1-2H3,(H,21,25)(H,22,27)/t14-/m0/s1