2-[[4-azanyl-7-(3-phenylpropanoyl)pteridin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-7-(3-phenylpropanoyl)pteridin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-7-(3-phenylpropanoyl)pteridin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-7-(1-oxo-3-phenylpropyl)-2-pteridinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-7-(3-phenylpropanoyl)pteridin-2-yl]amino]acetic acid Traditional Name: 2-[(4-amino-7-hydrocinnamoyl-pteridin-2-yl)amino]acetic acid Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=CN=C3C(=NC(=NC3=N2)NCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=CN=C3C(=NC(=NC3=N2)NCC(=O)O)N

InChI

InChI=1S/C17H16N6O3/c18-15-14-16(23-17(22-15)20-9-13(25)26)21-11(8-19-14)12(24)7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,25,26)(H3,18,20,21,22,23)