Hamburger Pentapeptide
[CAS# 62087-72-3]

Identification

• Name: Hamburger Pentapeptide
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₂H₃₆N₈O₁₁
• Molecular Weight: 588.57
• CAS Registry Number: 62087-72-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CO)CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1
• InChIKey: KQDIGHIVUUADBZ-PEDHHIEDSA-N

Properties

• Density: 1.694g/cm³ (Cal.)