4-oxidanylidene-3-[[5-(quinolin-2-ylcarbonylamino)-2-thiophen-2-yl-pentanoyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[5-(quinolin-2-ylcarbonylamino)-2-thiophen-2-yl-pentanoyl]amino]butanoic acid Openeye Name: 4-oxo-3-[[5-(quinoline-2-carbonylamino)-2-(2-thienyl)pentanoyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-5-[[oxo(2-quinolinyl)methyl]amino]-2-thiophen-2-ylpentyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[5-(quinoline-2-carbonylamino)-2-thiophen-2-ylpentanoyl]amino]butanoic acid Traditional Name: 4-keto-3-[[5-(quinaldoylamino)-2-(2-thienyl)pentanoyl]amino]butyric acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H23N3O5S/c27-14-16(13-21(28)29)25-22(30)17(20-8-4-12-32-20)6-3-11-24-23(31)19-10-9-15-5-1-2-7-18(15)26-19/h1-2,4-5,7-10,12,14,16-17H,3,6,11,13H2,(H,24,31)(H,25,30)(H,28,29)