N-[[5-[[3-(2,6-Diamino-1,4-Dihydro-4-Oxo-5-Pyrimidinyl)Propyl]Amino]-2-Thienyl]Carbonyl]-L-Glutamic Acid
[CAS# 158010-68-5]

Identification

• Name: N-[[5-[[3-(2,6-Diamino-1,4-Dihydro-4-Oxo-5-Pyrimidinyl)Propyl]Amino]-2-Thienyl]Carbonyl]-L-Glutamic Acid
• Synonyms: (2S)-2-[[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]-2-Thienyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[5-[3-(2,4-Diamino-6-Keto-3H-Pyrimidin-5-Yl)Propylamino]Thiophene-2-Carbonyl]Amino]Glutaric Acid; (2S)-2-[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]Thiophen-2-Yl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₇H₂₂N₆O₆S
• Molecular Weight: 438.46
• CAS Registry Number: 158010-68-5
• SMILES: [C@H](NC(C1=CC=C(S1)NCCCC2=C(NC(=NC2=O)N)N)=O)(CCC(O)=O)C(=O)O
• InChI: 1S/C17H22N6O6S/c18-13-8(14(26)23-17(19)22-13)2-1-7-20-11-5-4-10(30-11)15(27)21-9(16(28)29)3-6-12(24)25/h4-5,9,20H,1-3,6-7H2,(H,21,27)(H,24,25)(H,28,29)(H5,18,19,22,23,26)/t9-/m0/s1
• InChIKey: XZEOVCAIZUBENT-VIFPVBQESA-N

Properties

• Density: 1.689g/cm³ (Cal.)