(phenylmethyl) 3-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]butanoate Openeye Name: benzyl 2-[[2-[benzyloxycarbonyl(methyl)amino]acetyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxoethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]butanoate Traditional Name: 2-[[2-[carbobenzoxy(methyl)amino]acetyl]amino]-3-methyl-butyric acid benzyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)CN(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)CN(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5/c1-17(2)21(22(27)29-15-18-10-6-4-7-11-18)24-20(26)14-25(3)23(28)30-16-19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3,(H,24,26)