[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-4-20(21(28)23-13-16-8-6-5-7-9-16)30-22(29)17-10-18(24-14(2)26)12-19(11-17)25-15(3)27/h5-12,20H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t20-/m0/s1