(2S)-2-[[(2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 79338-56-0]

Identification

• Name: (2S)-2-[[(2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₀H₃₀N₆O₄
• Molecular Weight: 418.49
• CAS Registry Number: 79338-56-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)18(28)26-11-5-9-16(26)17(27)25-15(19(29)30)8-4-10-24-20(22)23/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/t14-,15+,16+/m1/s1
• InChIKey: NTUPOKHATNSWCY-PMPSAXMXSA-N

Properties

• Density: 1.409g/cm³ (Cal.)