[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(phenylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(phenylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-20(17-18-22-11-5-3-6-12-22)28-26(29)21(2)31-27(30)25-16-10-9-15-24(25)19-23-13-7-4-8-14-23/h3-16,20-21H,17-19H2,1-2H3,(H,28,29)/t20-,21+/m1/s1