(2S)-5-Amino-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanoic Acid
[CAS# 141397-59-3]

Identification

• Name: (2S)-5-Amino-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanoic Acid
• Synonyms: (2S)-5-Amino-2-[[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanoic Acid; (2S)-5-Amino-2-[[4-[(2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Valeric Acid; (2S)-5-Amino-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanoic Acid
• Molecular Formula: C₂₀H₂₇N₇O₄
• Molecular Weight: 429.48
• CAS Registry Number: 141397-59-3
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2CC1=C(NC(=NC1=O)N)NC2)C=C3)(C(=O)O)CCCN
• InChI: 1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)/t11?,15-/m0/s1
• InChIKey: YYXQTKSKWJEYRP-MHTVFEQDSA-N

Properties

• Density: 1.562g/cm³ (Cal.)