3-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[phenylmethoxycarbonyl-(phenylmethyl)amino]methyl]hex-5-enoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[phenylmethoxycarbonyl-(phenylmethyl)amino]methyl]hex-5-enoic acid Openeye Name: 2-[[benzyl(benzyloxycarbonyl)amino]methyl]-3-tert-butoxycarbonyl-hex-5-enoic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[[phenylmethoxycarbonyl-(phenylmethyl)amino]methyl]-5-hexenoic acid IUPAC Name: 2-[[benzyl(phenylmethoxycarbonyl)amino]methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid Traditional Name: 2-[[benzyl(carbobenzoxy)amino]methyl]-3-tert-butoxycarbonyl-hex-5-enoic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=C)C(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(CC=C)C(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H33NO6/c1-5-12-22(25(31)34-27(2,3)4)23(24(29)30)18-28(17-20-13-8-6-9-14-20)26(32)33-19-21-15-10-7-11-16-21/h5-11,13-16,22-23H,1,12,17-19H2,2-4H3,(H,29,30)