(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-Methylamino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoic Acid
[CAS# 162435-91-8]

Identification

• Name: (2S)-5-(Diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-Methylamino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoic Acid
• Synonyms: (2S)-5-Guanidino-2-[[(2S)-1-[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[[(2S)-1-[(2S)-2-Methylamino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[(2S)-1-[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Valeric Acid
• Molecular Formula: C₂₁H₃₂N₆O₄
• Molecular Weight: 432.52
• CAS Registry Number: 162435-91-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC)CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C21H32N6O4/c1-24-16(13-14-7-3-2-4-8-14)19(29)27-12-6-10-17(27)18(28)26-15(20(30)31)9-5-11-25-21(22)23/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,26,28)(H,30,31)(H4,22,23,25)/t15-,16-,17-/m0/s1
• InChIKey: LVCPRLFCRFDKSQ-ULQDDVLXSA-N

Properties

• Density: 1.351g/cm³ (Cal.)