(2S)-2-[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]1,3-Thiazole-2-Carbonyl]Amino]Pentanedioic Acid
[CAS# 158010-69-6]

Identification

• Name: (2S)-2-[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]1,3-Thiazole-2-Carbonyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]Thiazole-2-Carbonyl]Amino]Pentanedioic Acid; (2S)-2-[[[5-[3-(2,4-Diamino-6-Oxo-3H-Pyrimidin-5-Yl)Propylamino]-2-Thiazolyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[5-[3-(2,4-Diamino-6-Keto-3H-Pyrimidin-5-Yl)Propylamino]Thiazole-2-Carbonyl]Amino]Glutaric Acid
• Molecular Formula: C₁₆H₂₁N₇O₆S
• Molecular Weight: 439.45
• CAS Registry Number: 158010-69-6
• SMILES: [C@H](NC(C1=NC=C(S1)NCCCC2=C(NC(=NC2=O)N)N)=O)(CCC(O)=O)C(=O)O
• InChI: 1S/C16H21N7O6S/c17-11-7(12(26)23-16(18)22-11)2-1-5-19-9-6-20-14(30-9)13(27)21-8(15(28)29)3-4-10(24)25/h6,8,19H,1-5H2,(H,21,27)(H,24,25)(H,28,29)(H5,17,18,22,23,26)/t8-/m0/s1
• InChIKey: AYSIPLPKKFUMDU-QMMMGPOBSA-N

Properties

• Density: 1.77g/cm³ (Cal.)