[2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl] 2,6-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl] 2,6-dimethylbenzoate Openeye Name: [3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-propyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid [2-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propyl] ester IUPAC Name: [2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-propyl] ester Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N2O6/c1-20-10-9-11-21(2)26(20)28(34)36-19-24(32)17-30-27(33)25(16-22-12-5-3-6-13-22)31-29(35)37-18-23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,30,33)(H,31,35)/t25-/m0/s1