[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26N2O5/c1-15(2)20(24-21(26)17-9-11-18(28-3)12-10-17)22(27)29-14-19(25)23-13-16-7-5-4-6-8-16/h4-12,15,20H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t20-/m0/s1