(2S)-2-[[4-[(2,4-Diamino-5-Methylpyrido[5,6-e]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 135423-85-7]

Identification

• Name: (2S)-2-[[4-[(2,4-Diamino-5-Methylpyrido[5,6-e]Pyrimidin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2,4-Diamino-5-Methyl-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-5-Methyl-6-Pyrido[5,6-E]Pyrimidinyl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2,4-Diamino-5-Methyl-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₄H₂₅N₇O₅
• Molecular Weight: 491.51
• CAS Registry Number: 135423-85-7
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=C(C1=C(N=C(N=C1N=C2)N)N)C)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C24H25N7O5/c1-3-10-31(12-15-11-27-21-19(13(15)2)20(25)29-24(26)30-21)16-6-4-14(5-7-16)22(34)28-17(23(35)36)8-9-18(32)33/h1,4-7,11,17H,8-10,12H2,2H3,(H,28,34)(H,32,33)(H,35,36)(H4,25,26,27,29,30)/t17-/m0/s1
• InChIKey: NXZWILPVWKKBOG-KRWDZBQOSA-N