(2S)-2-[[4-[[(2-Amino-5-Chloro-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 102743-78-2]

Identification

• Name: (2S)-2-[[4-[[(2-Amino-5-Chloro-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[[(2-Amino-5-Chloro-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[[(2-Amino-5-Chloro-4-Keto-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[[(2-Amino-5-Chloro-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₀ClN₅O₆
• Molecular Weight: 473.87
• CAS Registry Number: 102743-78-2
• SMILES: [C@H](NC(C3=CC=C(CNC1=CC=C2C(=C1Cl)C(N=C(N2)N)=O)C=C3)=O)(CCC(O)=O)C(O)=O
• InChI: 1S/C21H20ClN5O6/c22-17-13(6-5-12-16(17)19(31)27-21(23)26-12)24-9-10-1-3-11(4-2-10)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)/t14-/m0/s1
• InChIKey: GBFUWHPCXNMVFC-AWEZNQCLSA-N

Properties

• Density: 1.615g/cm³ (Cal.)