3-[methyl-[2-[4-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]oxyethanoyl]amino]propanoic acid

Systemtic Name: 3-[methyl-[2-[4-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]oxyethanoyl]amino]propanoic acid Openeye Name: 3-[[2-[4-[benzyloxycarbonyl(methyl)amino]cyclohexoxy]acetyl]-methyl-amino]propanoic acid CAS Name: 3-[methyl-[2-[4-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]oxy-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[methyl-[2-[4-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]oxyacetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-[carbobenzoxy(methyl)amino]cyclohexoxy]acetyl]-methyl-amino]propionic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)COC1CCC(CC1)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(CCC(=O)O)C(=O)COC1CCC(CC1)N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O6/c1-22(13-12-20(25)26)19(24)15-28-18-10-8-17(9-11-18)23(2)21(27)29-14-16-6-4-3-5-7-16/h3-7,17-18H,8-15H2,1-2H3,(H,25,26)