[(1R)-1-[(2S)-2-[[(2R)-2-Amino-3-Phenylpropanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
[CAS# 130926-95-3]

Identification

• Name: [(1R)-1-[(2S)-2-[[(2R)-2-Amino-3-Phenylpropanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Synonyms: [(1R)-1-[(2S)-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Guanidino-Butyl]Boronic Acid; [(1R)-1-[(2S)-2-[[[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-4-Guanidinobutyl]Boronic Acid; [(1R)-1-[(2S)-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Carbamoyl]Pyrrolidin-1-Yl]-4-(Diaminomethylideneamino)Butyl]Boronic Acid
• Molecular Formula: C₁₉H₃₁BN₆O₄
• Molecular Weight: 418.30
• CAS Registry Number: 130926-95-3
• SMILES: [C@@H]1(N(CCC1)[C@@H](CCCN=C(N)N)B(O)O)C(=O)NC(=O)[C@H](N)CC2=CC=CC=C2
• InChI: 1S/C19H31BN6O4/c21-14(12-13-6-2-1-3-7-13)17(27)25-18(28)15-8-5-11-26(15)16(20(29)30)9-4-10-24-19(22)23/h1-3,6-7,14-16,29-30H,4-5,8-12,21H2,(H4,22,23,24)(H,25,27,28)/t14-,15+,16+/m1/s1
• InChIKey: JYVOMTYLQGTUPQ-PMPSAXMXSA-N

Properties

• Density: 1.368g/cm³ (Cal.)