2-[1-[2-methoxyethoxycarbonyl(phenethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]propanedioic acid

Systemtic Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]propanedioic acid Openeye Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-3-methyl-butyl]propanedioic acid CAS Name: 2-[1-[[2-methoxyethoxy(oxo)methyl]-phenethylamino]-4-methyl-1-oxopentan-2-yl]propanedioic acid IUPAC Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)amino]-4-methyl-1-oxopentan-2-yl]propanedioic acid Traditional Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-3-methyl-butyl]malonic acid Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)O)C(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)OCCOC

Isomeric SMILES

CC(C)CC(C(C(=O)O)C(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)OCCOC

InChI

InChI=1S/C21H29NO8/c1-14(2)13-16(17(19(24)25)20(26)27)18(23)22(21(28)30-12-11-29-3)10-9-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3,(H,24,25)(H,26,27)