methyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6/c1-15(2)19(23-22(26)29-14-16-7-5-4-6-8-16)21(25)28-13-17-9-11-18(12-10-17)20(24)27-3/h4-12,15,19H,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1