(2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
[CAS# 76910-23-1]

Identification

• Name: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Synonyms: (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid; (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Molecular Formula: C₂₃H₂₁N₇O₅
• Molecular Weight: 475.46
• CAS Registry Number: 76910-23-1
• SMILES: [C@H](NC(=O)C3=CC=C(NCC2=NC1=C(NC(=NC1=O)N)N=C2)C=C3)(CC4=CC=C(O)C=C4)C(=O)O
• 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)/t17-/m0/s1
• InChIKey: HINGXELFWYSGLU-KRWDZBQOSA-N

Properties

• Density: 1.586g/cm³ (Cal.)