(2S)-2-[[4-[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 115587-73-0]

Identification

• Name: (2S)-2-[[4-[[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Methylamino]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]Methylamino]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]Methylamino]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]Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₄N₆O₆
• Molecular Weight: 444.45
• CAS Registry Number: 115587-73-0
• SMILES: [C@@H]2(CC1=C(NC(=NC1=O)N)NC2)CNC3=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C3
• InChI: 1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,10,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t10-,14+/m1/s1
• InChIKey: XQZVRAWIARJOCJ-YGRLFVJLSA-N