(2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-5-Amino-5-Oxo-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Oxobutanoic Acid
[CAS# 129276-53-5]

Identification

• Name: (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-5-Amino-5-Oxo-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Oxobutanoic Acid
• Synonyms: (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-5-Amino-5-Oxo-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoic Acid; (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-5-Amino-1,5-Dioxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1-Oxoethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Oxobutanoic Acid; (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-5-Amino-5-Keto-2-(Pyroglutamoylamino)Pentanoyl]Amino]Acetyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₉H₂₉N₇O₁₀
• Molecular Weight: 515.48
• CAS Registry Number: 129276-53-5
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(CNC([C@@H](NC([C@H]1NC(CC1)=O)=O)CCC(=O)N)=O)=O)CO)=O)CC(=O)N
• InChI: 1S/C19H29N7O10/c20-12(28)3-1-8(25-17(33)9-2-4-14(30)23-9)16(32)22-6-15(31)24-11(7-27)18(34)26-10(19(35)36)5-13(21)29/h8-11,27H,1-7H2,(H2,20,28)(H2,21,29)(H,22,32)(H,23,30)(H,24,31)(H,25,33)(H,26,34)(H,35,36)/t8-,9-,10-,11-/m0/s1
• InChIKey: OWERTRHWEXDOIQ-NAKRPEOUSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 1335.238°C at 760 mmHg (Cal.)
• Flash point: 761.324°C (Cal.)