(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]Hexanoyl]Amino]-5-Oxopentanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanedioic Acid
[CAS# 149309-75-1]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]Hexanoyl]Amino]-5-Oxopentanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxohexyl]Amino]-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Amino]-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₃₁H₅₄N₈O₁₃
• Molecular Weight: 746.81
• CAS Registry Number: 149309-75-1
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)CCC(=O)O)CCC(=O)N)CCCCN)[C@H](O)C
• InChI: 1S/C31H54N8O13/c1-15(2)14-21(29(49)38-20(31(51)52)9-12-24(44)45)39-28(48)19(8-11-23(42)43)36-27(47)18(7-10-22(33)41)35-26(46)17(6-4-5-13-32)37-30(50)25(34)16(3)40/h15-21,25,40H,4-14,32,34H2,1-3H3,(H2,33,41)(H,35,46)(H,36,47)(H,37,50)(H,38,49)(H,39,48)(H,42,43)(H,44,45)(H,51,52)/t16-,17+,18+,19+,20+,21+,25+/m1/s1
• InChIKey: AHORWZXIPMYYSS-ZZSRRFTASA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 1277.677°C at 760 mmHg (Cal.)
• Flash point: 726.513°C (Cal.)