(4S)-5-[[(2S)-1-[[(2S)-1-(Carboxymethylamino)-3-Hydroxy-1-Oxopropan-2-Yl]Amino]-4-Hydroxy-1,4-Dioxobutan-2-Yl]Amino]-5-Oxo-4-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoic Acid
[CAS# 106678-69-7]

Identification

• Name: (4S)-5-[[(2S)-1-[[(2S)-1-(Carboxymethylamino)-3-Hydroxy-1-Oxopropan-2-Yl]Amino]-4-Hydroxy-1,4-Dioxobutan-2-Yl]Amino]-5-Oxo-4-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoic Acid
• Synonyms: (4S)-5-[[(1S)-1-[[(1S)-2-(Carboxymethylamino)-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]-3-Hydroxy-3-Oxo-Propyl]Amino]-5-Oxo-4-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoic Acid; (4S)-5-[[(1S)-1-[[[(1S)-2-(Carboxymethylamino)-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-3-Hydroxy-3-Oxopropyl]Amino]-5-Oxo-4-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentanoic Acid; (4S)-5-[[(1S)-1-[[(1S)-2-(Carboxymethylamino)-2-Keto-1-Methylol-Ethyl]Carbamoyl]-3-Hydroxy-3-Keto-Propyl]Amino]-5-Keto-4-(Pyroglutamoylamino)Valeric Acid
• Molecular Formula: C₁₉H₂₇N₅O₁₂
• Molecular Weight: 517.45
• CAS Registry Number: 106678-69-7
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](NC([C@H]1NC(CC1)=O)=O)CCC(=O)O)=O)CC(=O)O)=O)CO
• InChI: 1S/C19H27N5O12/c25-7-11(16(33)20-6-15(31)32)24-19(36)10(5-14(29)30)23-18(35)9(2-4-13(27)28)22-17(34)8-1-3-12(26)21-8/h8-11,25H,1-7H2,(H,20,33)(H,21,26)(H,22,34)(H,23,35)(H,24,36)(H,27,28)(H,29,30)(H,31,32)/t8-,9-,10-,11-/m0/s1
• InChIKey: HJOWVYBCMAYCGY-NAKRPEOUSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 1271.253°C at 760 mmHg (Cal.)
• Flash point: 722.628°C (Cal.)