(2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethylsulfanyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 74163-10-3]

Identification

• Name: (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethylsulfanyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[2-(2,4-Diamino-6-Pteridinyl)Ethylthio]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethylthio]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethylsulfanyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₅S
• Molecular Weight: 471.49
• CAS Registry Number: 74163-10-3
• SMILES: [C@@H](NC(=O)C3=CC=C(SCCC2=NC1=C(N=C(N=C1N=C2)N)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H21N7O5S/c21-16-15-17(27-20(22)26-16)23-9-11(24-15)7-8-33-12-3-1-10(2-4-12)18(30)25-13(19(31)32)5-6-14(28)29/h1-4,9,13H,5-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t13-/m0/s1
• InChIKey: FXGBKUVTNNFJHR-ZDUSSCGKSA-N

Properties

• Density: 1.579g/cm³ (Cal.)