(3S)-4-[[(2S)-1-[(2S)-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-3-(2-Propylpentanoylamino)Butanoic Acid
[CAS# 151275-15-9]

Identification

• Name: (3S)-4-[[(2S)-1-[(2S)-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-3-(2-Propylpentanoylamino)Butanoic Acid
• Synonyms: (3S)-4-[[(2S)-1-[(1S)-1-Formyl-4-Guanidino-Butyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-3-(2-Propylpentanoylamino)Butanoic Acid; (3S)-4-[[[(2S)-1-[(1S)-1-Formyl-4-Guanidinobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Oxo-3-[(1-Oxo-2-Propylpentyl)Amino]Butanoic Acid; (3S)-4-[[(2S)-1-[(1S)-1-Formyl-4-Guanidino-Butyl]Pyrrolidine-2-Carbonyl]Amino]-4-Keto-3-(2-Propylpentanoylamino)Butyric Acid
• Molecular Formula: C₂₃H₄₀N₆O₆
• Molecular Weight: 496.61
• CAS Registry Number: 151275-15-9
• SMILES: [C@@H]1(N(CCC1)[C@@H](CCCN=C(N)N)C=O)C(=O)NC(=O)[C@@H](NC(=O)C(CCC)CCC)CC(O)=O
• InChI: 1S/C23H40N6O6/c1-3-7-15(8-4-2)20(33)27-17(13-19(31)32)21(34)28-22(35)18-10-6-12-29(18)16(14-30)9-5-11-26-23(24)25/h14-18H,3-13H2,1-2H3,(H,27,33)(H,31,32)(H4,24,25,26)(H,28,34,35)/t16-,17-,18-/m0/s1
• InChIKey: CRHKGQIDYFCEIW-BZSNNMDCSA-N

Properties

• Density: 1.327g/cm³ (Cal.)