6-Amino-2-[(1S)-3-Amino-1-[[3-Amino-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methylpyrimidine-4-Carboxylic Acid
[CAS# 75452-30-1]

Identification

• Name: 6-Amino-2-[(1S)-3-Amino-1-[[3-Amino-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methylpyrimidine-4-Carboxylic Acid
• Synonyms: 6-Amino-2-[(1S)-3-Amino-1-[[3-Amino-2-(Tert-Butoxycarbonylamino)-3-Oxo-Propyl]Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carboxylic Acid; 6-Amino-2-[(1S)-3-Amino-1-[[3-Amino-2-[(Tert-Butoxy-Oxomethyl)Amino]-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methyl-4-Pyrimidinecarboxylic Acid; 6-Amino-2-[(1S)-3-Amino-1-[[3-Amino-2-(Tert-Butoxycarbonylamino)-3-Keto-Propyl]Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carboxylic Acid
• Molecular Formula: C₁₇H₂₇N₇O₆
• Molecular Weight: 425.44
• CAS Registry Number: 75452-30-1
• SMILES: [C@@H](NCC(NC(OC(C)(C)C)=O)C(=O)N)(C1=NC(=C(C(=N1)C(=O)O)C)N)CC(=O)N
• InChI: 1S/C17H27N7O6/c1-7-11(15(27)28)23-14(24-12(7)19)8(5-10(18)25)21-6-9(13(20)26)22-16(29)30-17(2,3)4/h8-9,21H,5-6H2,1-4H3,(H2,18,25)(H2,20,26)(H,22,29)(H,27,28)(H2,19,23,24)/t8-,9?/m0/s1
• InChIKey: XVCYESGSBIEXAS-IENPIDJESA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 792.42°C at 760 mmHg (Cal.)
• Flash point: 433.04°C (Cal.)