3-methyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butyric acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O4/c1-10(2)15(17(23)24)22-18(25)20-12-3-4-14-13(9-12)21-16(26-14)11-5-7-19-8-6-11/h3-10,15H,1-2H3,(H,23,24)(H2,20,22,25)