2-(butanoylamino)-3-[ethyl(pyridin-4-yl)carbamoyl]-2-methyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-(butanoylamino)-3-[ethyl(pyridin-4-yl)carbamoyl]-2-methyl-4-oxidanylidene-pentanoic acid Openeye Name: 2-(butanoylamino)-3-[ethyl(4-pyridyl)carbamoyl]-2-methyl-4-oxo-pentanoic acid CAS Name: 3-[[ethyl(pyridin-4-yl)amino]-oxomethyl]-2-methyl-4-oxo-2-(1-oxobutylamino)pentanoic acid IUPAC Name: 2-(butanoylamino)-3-[ethyl(pyridin-4-yl)carbamoyl]-2-methyl-4-oxopentanoic acid Traditional Name: 2-butyramido-3-[ethyl(4-pyridyl)carbamoyl]-4-keto-2-methyl-valeric acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-5-7-14(23)20-18(4,17(25)26)15(12(3)22)16(24)21(6-2)13-8-10-19-11-9-13/h8-11,15H,5-7H2,1-4H3,(H,20,23)(H,25,26)