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

Systemtic Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-14(2)19(24-22(27)29-13-16-8-6-5-7-9-16)20(25)23-18-12-17(21(26)28-4)11-10-15(18)3/h5-12,14,19H,13H2,1-4H3,(H,23,25)(H,24,27)/t19-/m0/s1