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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-15(2)19(24-22(27)29-14-17-7-5-4-6-8-17)20(25)23-13-16-9-11-18(12-10-16)21(26)28-3/h4-12,15,19H,13-14H2,1-3H3,(H,23,25)(H,24,27)/t19-/m0/s1