(2S)-2-[[4-[(2,4-Diaminopyrido[6,5-d]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS 135423-84-6]

Identification

• Name: (2S)-2-[[4-[(2,4-Diaminopyrido[6,5-d]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopyrido[6,5-D]Pyrimidin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-6-Pyrido[6,5-D]Pyrimidinyl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2,4-Diaminopyrido[6,5-D]Pyrimidin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₃H₂₃N₇O₅
• Molecular Weight: 477.48
• CAS Registry Number: 135423-84-6
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=CC1=C(N=C(N=C1N=C2)N)N)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C23H23N7O5/c1-2-9-30(12-13-10-16-19(24)28-23(25)29-20(16)26-11-13)15-5-3-14(4-6-15)21(33)27-17(22(34)35)7-8-18(31)32/h1,3-6,10-11,17H,7-9,12H2,(H,27,33)(H,31,32)(H,34,35)(H4,24,25,26,28,29)/t17-/m0/s1
• InChIKey: IOYMKUPOYSMDNI-KRWDZBQOSA-N