(3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (3,5-dimethylbenzyl) ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H29NO4/c1-16-11-17(2)13-19(12-16)15-27-21(25)20(14-18-9-7-6-8-10-18)24-22(26)28-23(3,4)5/h6-13,20H,14-15H2,1-5H3,(H,24,26)/t20-/m0/s1