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

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]benzoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-14(2)18(23-21(26)28-13-15-7-5-4-6-8-15)19(24)22-17-11-9-16(10-12-17)20(25)27-3/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H,23,26)/t18-/m0/s1