(2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 51989-29-8]

Identification

• Name: (2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₄N₆O₆
• Molecular Weight: 444.45
• CAS Registry Number: 51989-29-8
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2NC1=C(NC(=NC1=O)N)CC2)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)/t12?,14-/m0/s1
• InChIKey: HLQVKHILGYCUSU-PYMCNQPYSA-N

Properties

• Density: 1.63g/cm³ (Cal.)