(2S)-2-[[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[6,5-c]Isoquinolin-8-Yl)Benzoyl]Amino]Pentanedioic Acid
[CAS# 137465-07-7]

Identification

• Name: (2S)-2-[[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[6,5-c]Isoquinolin-8-Yl)Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[6,5-C]Isoquinolin-8-Yl)Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[6,5-C]Isoquinolin-8-Yl)Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[6,5-C]Isoquinolin-8-Yl)Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₃H₂₄N₆O₅
• Molecular Weight: 464.48
• CAS Registry Number: 137465-07-7
• SMILES: [C@@H](NC(=O)C4=CC=C(C3CC2=C(C1=C(N=C(N=C1N=C2)N)N)CC3)C=C4)(C(=O)O)CCC(=O)O
• InChI: 1S/C23H24N6O5/c24-19-18-15-6-5-13(9-14(15)10-26-20(18)29-23(25)28-19)11-1-3-12(4-2-11)21(32)27-16(22(33)34)7-8-17(30)31/h1-4,10,13,16H,5-9H2,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)/t13?,16-/m0/s1
• InChIKey: TWQHKMFGGWXDNM-VYIIXAMBSA-N

Properties

• Density: 1.475g/cm³ (Cal.)