[(1R)-1-[[(2S)-1-[(2R)-2-Acetamido-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
[CAS# 130982-43-3]

Identification

• Name: [(1R)-1-[[(2S)-1-[(2R)-2-Acetamido-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Synonyms: [(1R)-1-[[(2S)-1-[(2R)-2-Acetamido-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Guanidino-Butyl]Boronic Acid; [(1R)-1-[[[(2S)-1-[(2R)-2-Acetamido-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Guanidinobutyl]Boronic Acid; [(1R)-1-[[(2S)-1-[(2R)-2-Acetamido-3-Phenyl-Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Molecular Formula: C₂₁H₃₃BN₆O₅
• Molecular Weight: 460.34
• CAS Registry Number: 130982-43-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H](NC(=O)C)CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)B(O)O
• InChI: 1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
• InChIKey: FXFYPTZERULUBS-SQNIBIBYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)