(2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 115722-29-7]

Identification

• Name: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-e]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₃H₂₂N₆O₆
• Molecular Weight: 478.46
• CAS Registry Number: 115722-29-7
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=CN=C1NC(=NC(=O)C1=C2)N)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C23H22N6O6/c1-2-9-29(12-13-10-16-19(25-11-13)27-23(24)28-21(16)33)15-5-3-14(4-6-15)20(32)26-17(22(34)35)7-8-18(30)31/h1,3-6,10-11,17H,7-9,12H2,(H,26,32)(H,30,31)(H,34,35)(H3,24,25,27,28,33)/t17-/m0/s1
• InChIKey: ZMGMVJDUIACEOB-KRWDZBQOSA-N