2-acetamido-5-[4-(5-butylpyridin-2-yl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-[4-(5-butylpyridin-2-yl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[4-(5-butylpyridine-2-carbonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[4-[(5-butyl-2-pyridinyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[4-(5-butylpyridine-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[4-(5-butylpicolinoyl)piperazino]-5-keto-valeric acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C21H30N4O5/c1-3-4-5-16-6-7-17(22-14-16)20(28)25-12-10-24(11-13-25)19(27)9-8-18(21(29)30)23-15(2)26/h6-7,14,18H,3-5,8-13H2,1-2H3,(H,23,26)(H,29,30)