(2S)-2-[[4-[1-(2,4-Diamino-5-Methylpyrido[5,6-e]Pyrimidin-6-Yl)Butan-2-Yl]Benzoyl]Amino]Pentanedioic Acid
[CAS 139504-90-8]

Identification

• Name: (2S)-2-[[4-[1-(2,4-Diamino-5-Methylpyrido[5,6-e]Pyrimidin-6-Yl)Butan-2-Yl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[1-[(2,4-Diamino-5-Methyl-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl]Propyl]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[1-[(2,4-Diamino-5-Methyl-6-Pyrido[5,6-E]Pyrimidinyl)Methyl]Propyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[1-[(2,4-Diamino-5-Methyl-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl]Propyl]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₄H₂₈N₆O₅
• Molecular Weight: 480.52
• CAS Registry Number: 139504-90-8
• SMILES: [C@@H](NC(=O)C3=CC=C(C(CC1=C(C2=C(N=C1)N=C(N=C2N)N)C)CC)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C24H28N6O5/c1-3-13(10-16-11-27-21-19(12(16)2)20(25)29-24(26)30-21)14-4-6-15(7-5-14)22(33)28-17(23(34)35)8-9-18(31)32/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,28,33)(H,31,32)(H,34,35)(H4,25,26,27,29,30)/t13?,17-/m0/s1
• InChIKey: NTDTUJSFGRIWAK-RUINGEJQSA-N

Properties

• Density: 1.383g/cm³ (Cal.)