[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl] ester IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [3-(benzylcarbamoylamino)-3-keto-propyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(=O)NC(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-16(2)20(26-21(28)18-11-7-4-8-12-18)22(29)31-14-13-19(27)25-23(30)24-15-17-9-5-3-6-10-17/h3-12,16,20H,13-15H2,1-2H3,(H,26,28)(H2,24,25,27,30)/t20-/m0/s1