2-acetamido-3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoic acid Openeye Name: 2-acetamido-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid CAS Name: 2-acetamido-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid IUPAC Name: 2-acetamido-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoic acid Traditional Name: 2-acetamido-3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propionic acid Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C21H31N5O4/c1-15(27)23-19(20(28)29)14-25-16(2)26(18-6-4-3-5-7-18)21(30)24(25)13-10-17-8-11-22-12-9-17/h3-7,16-17,19,22H,8-14H2,1-2H3,(H,23,27)(H,28,29)