2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H21N7O5 MolecularWeight: 475.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)O

InChI

InChI=1S/C23H21N7O5/c24-23-29-19-18(21(33)30-23)27-15(11-26-19)10-25-14-5-3-13(4-6-14)20(32)28-17(22(34)35)9-12-1-7-16(31)8-2-12/h1-8,11,17,25,31H,9-10H2,(H,28,32)(H,34,35)(H3,24,26,29,30,33)