(2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Ethyl]Benzoyl]Amino]Pentanedioic Acid
[CAS# 106400-81-1]

Identification

• Name: (2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-e]Pyrimidin-6-Yl]Ethyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Ethyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-[(6R)-2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Ethyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pyrido[5,6-E]Pyrimidin-6-Yl]Ethyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₅N₅O₆
• Molecular Weight: 443.46
• CAS Registry Number: 106400-81-1
• SMILES: [C@H]2(CC1=C(NC(=NC1=O)N)NC2)CCC3=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C3
• InChI: 1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
• InChIKey: ZUQBAQVRAURMCL-DOMZBBRYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)