(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxobutanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]Butanedioic Acid
[CAS# 123354-91-6]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxobutanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Succinic Acid
• Molecular Formula: C₁₇H₂₄N₄O₁₃
• Molecular Weight: 492.40
• CAS Registry Number: 123354-91-6
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)O)=O)CC(=O)O)=O)CCC(=O)O)=O)CC(=O)O
• InChI: 1S/C17H24N4O13/c18-6(3-11(24)25)14(30)20-8(4-12(26)27)16(32)19-7(1-2-10(22)23)15(31)21-9(17(33)34)5-13(28)29/h6-9H,1-5,18H2,(H,19,32)(H,20,30)(H,21,31)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,33,34)/t6-,7-,8-,9-/m0/s1
• InChIKey: PQFMROVJTOPVDF-JBDRJPRFSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 1057.658°C at 760 mmHg (Cal.)
• Flash point: 593.45°C (Cal.)