ethyl (2S)-2-methyl-3-oxidanylidene-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate

Systemtic Name: ethyl (2S)-2-methyl-3-oxidanylidene-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate Openeye Name: ethyl (2S)-2-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]-2-methyl-3-oxo-butanoate CAS Name: (2S)-2-methyl-3-oxo-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-methyl-3-oxo-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate Traditional Name: (2S)-2-[benzyloxycarbonylamino(carbobenzoxy)amino]-3-keto-2-methyl-butyric acid ethyl ester Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)C)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@](C)(C(=O)C)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O7/c1-4-30-20(27)23(3,17(2)26)25(22(29)32-16-19-13-9-6-10-14-19)24-21(28)31-15-18-11-7-5-8-12-18/h5-14H,4,15-16H2,1-3H3,(H,24,28)/t23-/m0/s1