Pepstatyl-Arginine Methyl Ester
[CAS# 70706-82-0]

Identification

• Name: Pepstatyl-Arginine Methyl Ester
• Synonyms: Methyl (2S)-5-Guanidino-2-[[(3S,4S)-3-Hydroxy-4-[[(2S)-2-[[(4S)-3-Hydroxy-6-Methyl-4-[[(1S)-2-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Carbamoyl]Propyl]Amino]Heptanoyl]Amino]Propanoyl]Amino]-6-Methyl-Heptanoyl]Amino]Pentanoate; (2S)-5-Guanidino-2-[[(3S,4S)-3-Hydroxy-4-[[(2S)-2-[[(4S)-3-Hydroxy-6-Methyl-4-[[(1S)-2-Methyl-1-[[[(2S)-3-Methyl-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxobutyl]Amino]-Oxomethyl]Propyl]Amino]-1-Oxoheptyl]Amino]-1-Oxopropyl]Amino]-6-Methyl-1-Oxoheptyl]Amino]Pentanoic Acid Methyl Ester; (2S)-5-Guanidino-2-[[(3S,4S)-3-Hydroxy-4-[[(2S)-2-[[(4S)-3-Hydroxy-4-[[(1S)-1-[[(2S)-2-(Isovalerylamino)-3-Methyl-Butanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-6-Methyl-Heptanoyl]Amino]Valeric Acid Methyl Ester
• Molecular Formula: C₄₁H₇₇N₉O₁₀
• Molecular Weight: 856.11
• CAS Registry Number: 70706-82-0
• SMILES: [C@H](N[C@@H](C(C)C)C(=O)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)(CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCCN=C(N)N)C(OC)=O)C
• InChI: 1S/C41H77N9O10/c1-21(2)16-28(47-35(24(7)8)38(57)50-39(58)36(25(9)10)49-32(53)18-23(5)6)30(51)19-33(54)45-26(11)37(56)48-29(17-22(3)4)31(52)20-34(55)46-27(40(59)60-12)14-13-15-44-41(42)43/h21-31,35-36,47,51-52H,13-20H2,1-12H3,(H,45,54)(H,46,55)(H,48,56)(H,49,53)(H4,42,43,44)(H,50,57,58)/t26-,27-,28-,29-,30?,31-,35-,36-/m0/s1
• InChIKey: KDYMFVJJBFHWFB-IEXNTVKMSA-N

Properties

• Density: 1.244g/cm³ (Cal.)