2-[[(2S,3S)-3-Hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylundecanoyl)-methylamino]-4-methylpent-4-enyl]amino]-3-methylbut-3-enoyl]amino]propanoyl]amino]butanoyl]amino]acetic acid
[CAS# 80458-08-8]

Identification

• Name: 2-[[(2S,3S)-3-Hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylundecanoyl)-methylamino]-4-methylpent-4-enyl]amino]-3-methylbut-3-enoyl]amino]propanoyl]amino]butanoyl]amino]acetic acid
• Synonyms: 2-[[(2S,3S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[(2S)-2-[[(2S)-2-[(3-Hydroxy-2-Methyl-Undecanoyl)-Methyl-Amino]-4-Methyl-Pent-4-Enyl]Amino]-3-Methyl-But-3-Enoyl]Amino]Propanoyl]Amino]Butanoyl]Amino]Acetic Acid; 2-[[(2S,3S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[(2S)-2-[[(2S)-2-[(3-Hydroxy-2-Methyl-1-Oxoundecyl)-Methylamino]-4-Methylpent-4-Enyl]Amino]-3-Methyl-1-Oxobut-3-Enyl]Amino]-1-Oxopropyl]Amino]-1-Oxobutyl]Amino]Acetic Acid; 2-[[(2S,3S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[(2S)-2-[[(2S)-2-[(3-Hydroxy-2-Methyl-Undecanoyl)-Methyl-Amino]-4-Methyl-Pent-4-Enyl]Amino]-3-Methyl-But-3-Enoyl]Amino]Propanoyl]Amino]Butanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₃₃H₅₉N₅O₉
• Molecular Weight: 669.86
• CAS Registry Number: 80458-08-8
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](NC[C@@H](N(C)C(C(C(CCCCCCCC)O)C)=O)CC(C)=C)C(C)=C)=O)CO)=O)[C@H](C)O
• InChI: 1S/C33H59N5O9/c1-9-10-11-12-13-14-15-26(41)22(6)33(47)38(8)24(16-20(2)3)17-34-28(21(4)5)32(46)36-25(19-39)30(44)37-29(23(7)40)31(45)35-18-27(42)43/h22-26,28-29,34,39-41H,2,4,9-19H2,1,3,5-8H3,(H,35,45)(H,36,46)(H,37,44)(H,42,43)/t22?,23-,24-,25-,26?,28-,29-/m0/s1
• InChIKey: UEVBKBOGVXHVOU-ZCJPEBHXSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 956.859°C at 760 mmHg (Cal.)
• Flash point: 532.489°C (Cal.)