(2R)-2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyloxy-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyloxy-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]oxy-2-phenyl-acetic acid CAS Name: (2R)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethoxy]-2-phenylacetic acid IUPAC Name: (2R)-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]oxy-2-phenylacetic acid Traditional Name: (2R)-2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]oxy-2-phenyl-acetic acid Formula: C22H18N6O5 MolecularWeight: 446.41552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)OC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C22H18N6O5/c23-22-27-18-16(19(29)28-22)26-15(11-25-18)10-24-14-8-6-13(7-9-14)21(32)33-17(20(30)31)12-4-2-1-3-5-12/h1-9,11,17,24H,10H2,(H,30,31)(H3,23,25,27,28,29)/t17-/m1/s1