4-[(2S)-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]-3-oxo-piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-oxo-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[(2S)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-2-[2-(2,4-dimethylanilino)-2-keto-ethyl]-3-keto-piperazino]-4-keto-butyrate Formula: C18H22N3O5- MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C18H23N3O5/c1-11-3-4-13(12(2)9-11)20-15(22)10-14-18(26)19-7-8-21(14)16(23)5-6-17(24)25/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,26)(H,20,22)(H,24,25)/p-1/t14-/m0/s1