2-[2-(2-acetamido-4-methyl-pentanoyl)pyrazolidin-1-yl]carbonyloxy-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(2-acetamido-4-methyl-pentanoyl)pyrazolidin-1-yl]carbonyloxy-3-phenyl-propanoic acid Openeye Name: 2-[2-(2-acetamido-4-methyl-pentanoyl)pyrazolidine-1-carbonyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[2-(2-acetamido-4-methyl-1-oxopentyl)-1-pyrazolidinyl]-oxomethoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-(2-acetamido-4-methylpentanoyl)pyrazolidine-1-carbonyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[2-(2-acetamido-4-methyl-pentanoyl)pyrazolidine-1-carbonyl]oxy-3-phenyl-propionic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCN1C(=O)OC(CC2=CC=CC=C2)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N1CCCN1C(=O)OC(CC2=CC=CC=C2)C(=O)O)NC(=O)C

InChI

InChI=1S/C21H29N3O6/c1-14(2)12-17(22-15(3)25)19(26)23-10-7-11-24(23)21(29)30-18(20(27)28)13-16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3,(H,22,25)(H,27,28)