N-[4-[[(2,4-Diamino-6-Quinazolinyl)Methyl]Amino]Benzoyl]-L-Aspartic Acid
[CAS# 18921-65-8]

Identification

• Name: N-[4-[[(2,4-Diamino-6-Quinazolinyl)Methyl]Amino]Benzoyl]-L-Aspartic Acid
• Synonyms: (2S)-2-[[[4-[(2,4-Diamino-6-Quinazolinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Butanedioic Acid; (2S)-2-[[4-[(2,4-Diaminoquinazolin-6-Yl)Methylamino]Benzoyl]Amino]Succinic Acid; (2S)-2-[[4-[(2,4-Diaminoquinazolin-6-Yl)Methylamino]Phenyl]Carbonylamino]Butanedioic Acid
• Molecular Formula: C₂₀H₂₀N₆O₅
• Molecular Weight: 424.42
• CAS Registry Number: 18921-65-8
• SMILES: [C@H](NC(C3=CC=C(NCC1=CC2=C(C=C1)N=C(N)N=C2N)C=C3)=O)(CC(O)=O)C(O)=O
• InChI: 1S/C20H20N6O5/c21-17-13-7-10(1-6-14(13)25-20(22)26-17)9-23-12-4-2-11(3-5-12)18(29)24-15(19(30)31)8-16(27)28/h1-7,15,23H,8-9H2,(H,24,29)(H,27,28)(H,30,31)(H4,21,22,25,26)/t15-/m0/s1
• InChIKey: RJMVWPJFVJJJLO-HNNXBMFYSA-N

Properties

• Density: 1.548g/cm³ (Cal.)