O-Methyl-succinyl-alanyl-alanyl-prolyl-borovaline
[CAS# 94242-73-6]

Identification

• Name: O-Methyl-succinyl-alanyl-alanyl-prolyl-borovaline
• Synonyms: [(1R)-1-[[(2S)-1-[(2S)-2-[2-[(4-Methoxy-4-Oxo-Butanoyl)Amino]Propanoylamino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-2-Methyl-Propyl]Boronic Acid; [(1R)-1-[[[(2S)-1-[(2S)-2-[[2-[(4-Methoxy-1,4-Dioxobutyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl
• Molecular Formula: C₂₀H₃₅BN₄O₈
• Molecular Weight: 470.33
• CAS Registry Number: 94242-73-6
• SMILES: [C@@H](NC(C(NC(CCC(OC)=O)=O)C)=O)(C(N1CCC[C@H]1C(N[C@@H](C(C)C)B(O)O)=O)=O)C
• InChI: 1S/C20H35BN4O8/c1-11(2)17(21(31)32)24-19(29)14-7-6-10-25(14)20(30)13(4)23-18(28)12(3)22-15(26)8-9-16(27)33-5/h11-14,17,31-32H,6-10H2,1-5H3,(H,22,26)(H,23,28)(H,24,29)/t12?,13-,14-,17-/m0/s1
• InChIKey: YPHQJTAKLOESOF-UZPQQBEXSA-N

Properties

• Density: 1.228g/cm³ (Cal.)