(2S)-2-[[4-[[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 130327-70-7]

Identification

• Name: (2S)-2-[[4-[[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Amino]Methyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[[[(6R)-2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Amino]Methyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Amino]Methyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₄N₆O₆
• Molecular Weight: 444.45
• CAS Registry Number: 130327-70-7
• SMILES: [C@@H]3(NCC1=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C1)CC2=C(NC(=NC2=O)N)NC3
• InChI: 1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t12-,14+/m1/s1
• InChIKey: OLNLRVHYZZQGBF-OCCSQVGLSA-N

Properties

• Density: 1.63g/cm³ (Cal.)