[1-[(2S)-2-[[(2R)-2-Acetamido-3-Phenylpropanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
[CAS# 124216-70-2]

Identification

• Name: [1-[(2S)-2-[[(2R)-2-Acetamido-3-Phenylpropanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Synonyms: [1-[(2S)-2-[[(2R)-2-Acetamido-3-Phenyl-Propanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Guanidino-Butyl]Boronic Acid; [1-[(2S)-2-[[[(2R)-2-Acetamido-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-4-Guanidinobutyl]Boronic Acid; [1-[(2S)-2-[[(2R)-2-Acetamido-3-Phenyl-Propanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Molecular Formula: C₂₁H₃₃BN₆O₅
• Molecular Weight: 460.34
• CAS Registry Number: 124216-70-2
• SMILES: [C@@H]1(N(CCC1)C(CCCN=C(N)N)B(O)O)C(=O)NC(=O)[C@H](NC(=O)C)CC2=CC=CC=C2
• InChI: 1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)19(30)27-20(31)17-9-6-12-28(17)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)(H4,23,24,25)(H,27,30,31)/t16-,17+,18?/m1/s1
• InChIKey: NHUNNUFTIMZMOJ-DVKDBIPTSA-N

Properties

• Density: 1.345g/cm³ (Cal.)