2-(2-azanylpropanoyl)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-thiophen-3-yl-3,4-dihydro-2H-pyridine-4-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-thiophen-3-yl-3,4-dihydro-2H-pyridine-4-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-(1,3-dioxoisoindolin-2-yl)-3-(3-thienyl)-3,4-dihydro-2H-pyridine-4-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-(1,3-dioxo-2-isoindolyl)-3-(3-thiophenyl)-3,4-dihydro-2H-pyridine-4-carboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1,3-dioxoisoindol-2-yl)-3-thiophen-3-yl-3,4-dihydro-2H-pyridine-4-carboxylic acid Traditional Name: 2-alanyl-1-phthalimido-3-(3-thienyl)-3,4-dihydro-2H-pyridine-4-carboxylic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1C(C(C=CN1N2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C4=CSC=C4)N

Isomeric SMILES

CC(C(=O)C1C(C(C=CN1N2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C4=CSC=C4)N

InChI

InChI=1S/C21H19N3O5S/c1-11(22)18(25)17-16(12-7-9-30-10-12)15(21(28)29)6-8-23(17)24-19(26)13-4-2-3-5-14(13)20(24)27/h2-11,15-17H,22H2,1H3,(H,28,29)