methyl (2S)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-(4-bromophenyl)propanoate CAS Name: (2S)-2-(4-bromophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4-bromophenyl)propanoate Traditional Name: (2S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-(4-bromophenyl)propionic acid methyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C[C@H](C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C22H26BrNO4/c1-22(2,3)28-21(26)24(14-16-8-6-5-7-9-16)15-19(20(25)27-4)17-10-12-18(23)13-11-17/h5-13,19H,14-15H2,1-4H3/t19-/m1/s1