[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-acetamidoanilino)-4-oxo-butanoate CAS Name: 4-(4-acetamidoanilino)-4-oxobutanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-acetamidoanilino)-4-oxobutanoate Traditional Name: 4-(4-acetamidoanilino)-4-keto-butyric acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H25N3O5/c1-15(17-6-4-3-5-7-17)23-21(28)14-30-22(29)13-12-20(27)25-19-10-8-18(9-11-19)24-16(2)26/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t15-/m1/s1