(2S)-2-[[(2S)-3-Hydroxy-2-[[2-[[(2S)-5-Hydroxy-5-Oxo-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]Butanedioic Acid
[CAS# 129276-56-8]

Identification

• Name: (2S)-2-[[(2S)-3-Hydroxy-2-[[2-[[(2S)-5-Hydroxy-5-Oxo-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[(2S)-3-Hydroxy-2-[[2-[[(2S)-5-Hydroxy-1,5-Dioxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-3-Hydroxy-2-[[2-[[(2S)-5-Hydroxy-5-Keto-2-(Pyroglutamoylamino)Pentanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]Succinic Acid; (2S)-2-[[(2S)-3-Hydroxy-2-[2-[[(2S)-5-Hydroxy-5-Oxo-2-[[(2S)-5-Oxopyrrolidin-2-Yl]Carbonylamino]Pentanoyl]Amino]Ethanoylamino]Propanoyl]Amino]Butanedioic Acid
• Molecular Formula: C₁₉H₂₇N₅O₁₂
• Molecular Weight: 517.45
• CAS Registry Number: 129276-56-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(CNC([C@@H](NC([C@H]1NC(CC1)=O)=O)CCC(=O)O)=O)=O)CO)=O)CC(=O)O
• InChI: 1S/C19H27N5O12/c25-7-11(18(34)24-10(19(35)36)5-15(30)31)22-13(27)6-20-16(32)8(2-4-14(28)29)23-17(33)9-1-3-12(26)21-9/h8-11,25H,1-7H2,(H,20,32)(H,21,26)(H,22,27)(H,23,33)(H,24,34)(H,28,29)(H,30,31)(H,35,36)/t8-,9-,10-,11-/m0/s1
• InChIKey: KHISTTPVNRGMAV-NAKRPEOUSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 1190.589°C at 760 mmHg (Cal.)
• Flash point: 673.844°C (Cal.)