(phenylmethyl) 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: (phenylmethyl) 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: benzyl 4-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid benzyl ester Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O5/c1-28(2,3)35-27(33)30-24(18-20-10-6-4-7-11-20)25(31)29-23-16-14-22(15-17-23)26(32)34-19-21-12-8-5-9-13-21/h4-17,24H,18-19H2,1-3H3,(H,29,31)(H,30,33)/t24-/m0/s1