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

Systemtic Name: 2-[4-methyl-1-[methylcarbamoyl(phenethyl)amino]-1-oxidanylidene-pentan-2-yl]-2-oxidanyl-propanedioic acid Openeye Name: 2-hydroxy-2-[3-methyl-1-[methylcarbamoyl(phenethyl)carbamoyl]butyl]propanedioic acid CAS Name: 2-hydroxy-2-[4-methyl-1-[methylcarbamoyl(phenethyl)amino]-1-oxopentan-2-yl]propanedioic acid IUPAC Name: 2-hydroxy-2-[4-methyl-1-[methylcarbamoyl(phenethyl)amino]-1-oxopentan-2-yl]propanedioic acid Traditional Name: 2-hydroxy-2-[3-methyl-1-[methylcarbamoyl(phenethyl)carbamoyl]butyl]malonic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7/c1-12(2)11-14(19(28,16(23)24)17(25)26)15(22)21(18(27)20-3)10-9-13-7-5-4-6-8-13/h4-8,12,14,28H,9-11H2,1-3H3,(H,20,27)(H,23,24)(H,25,26)