1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[6-[[oxo-[(2-pyridin-4-yl-4-thiazolyl)amino]methyl]amino]-2-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]proline Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H20N6O3S/c27-19(28)15-4-2-10-26(15)11-14-3-1-5-16(22-14)24-20(29)25-17-12-30-18(23-17)13-6-8-21-9-7-13/h1,3,5-9,12,15H,2,4,10-11H2,(H,27,28)(H2,22,24,25,29)