3-[2-[4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]phenyl]-5-oxidanylidene-4H-1,3-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[2-[4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]phenyl]-5-oxidanylidene-4H-1,3-oxazol-4-yl]propanoic acid Openeye Name: 3-[2-[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetyl-amino]phenyl]-5-oxo-4H-oxazol-4-yl]propanoic acid CAS Name: 3-[2-[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]phenyl]-5-oxo-4H-oxazol-4-yl]propanoic acid IUPAC Name: 3-[2-[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]phenyl]-5-oxo-4H-1,3-oxazol-4-yl]propanoic acid Traditional Name: 3-[2-[4-[(2-acetamido-4-keto-1H-pteridin-6-yl)methyl-acetyl-amino]phenyl]-5-keto-2-oxazolin-4-yl]propionic acid Formula: C23H21N7O7 MolecularWeight: 507.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CN(C3=CC=C(C=C3)C4=NC(C(=O)O4)CCC(=O)O)C(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CN(C3=CC=C(C=C3)C4=NC(C(=O)O4)CCC(=O)O)C(=O)C

InChI

InChI=1S/C23H21N7O7/c1-11(31)25-23-28-19-18(20(35)29-23)26-14(9-24-19)10-30(12(2)32)15-5-3-13(4-6-15)21-27-16(22(36)37-21)7-8-17(33)34/h3-6,9,16H,7-8,10H2,1-2H3,(H,33,34)(H2,24,25,28,29,31,35)