3-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Carbamoyl]-2-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Carbamoylmethyl]-2-Hydroxy-Propanoic Acid
[CAS# 26198-65-2]

Identification

• Name: 3-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Carbamoyl]-2-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Carbamoylmethyl]-2-Hydroxy-Propanoic Acid
• Synonyms: 4-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Amino]-2-[2-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Amino]-2-Oxo-Ethyl]-2-Hydroxy-4-Oxo-Butanoic Acid; 4-[[(1S)-5-(Acetyl-Hydroxyamino)-1-Carboxypentyl]Amino]-2-[2-[[(1S)-5-(Acetyl-Hydroxyamino)-1-Carboxypentyl]Amino]-2-Oxoethyl]-2-Hydroxy-4-Oxobutanoic Acid; 4-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Amino]-2-[2-[[(1S)-5-(Acetyl-Hydroxy-Amino)-1-Carboxy-Pentyl]Amino]-2-Keto-Ethyl]-2-Hydroxy-4-Keto-Butyric Acid
• Molecular Formula: C₂₂H₃₆N₄O₁₃
• Molecular Weight: 564.55
• CAS Registry Number: 26198-65-2
• SMILES: [C@@H](NC(CC(CC(N[C@H](C(=O)O)CCCCN(C(=O)C)O)=O)(C(=O)O)O)=O)(C(=O)O)CCCCN(C(=O)C)O
• InChI: 1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1
• InChIKey: KDHHWXGBNUCREU-HOTGVXAUSA-N

Properties

• Density: 1.449g/cm³ (Cal.)

References

• (1): Kadi et al.. A new family of ATP-dependent oligomerization-macrocyclization biocatalysts, Nature Chemical Biology, 2007