2-(butanoylamino)-2-methyl-4-oxidanylidene-3-(3-quinolin-2-ylpropylcarbamoyl)pentanoic acid

Systemtic Name: 2-(butanoylamino)-2-methyl-4-oxidanylidene-3-(3-quinolin-2-ylpropylcarbamoyl)pentanoic acid Openeye Name: 2-(butanoylamino)-2-methyl-4-oxo-3-[3-(2-quinolyl)propylcarbamoyl]pentanoic acid CAS Name: 2-methyl-4-oxo-2-(1-oxobutylamino)-3-[oxo-[3-(2-quinolinyl)propylamino]methyl]pentanoic acid IUPAC Name: 2-(butanoylamino)-2-methyl-4-oxo-3-(3-quinolin-2-ylpropylcarbamoyl)pentanoic acid Traditional Name: 2-butyramido-4-keto-2-methyl-3-[3-(2-quinolyl)propylcarbamoyl]valeric acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)(C(C(=O)C)C(=O)NCCCC1=NC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

CCCC(=O)NC(C)(C(C(=O)C)C(=O)NCCCC1=NC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C23H29N3O5/c1-4-8-19(28)26-23(3,22(30)31)20(15(2)27)21(29)24-14-7-10-17-13-12-16-9-5-6-11-18(16)25-17/h5-6,9,11-13,20H,4,7-8,10,14H2,1-3H3,(H,24,29)(H,26,28)(H,30,31)