Methyl 2-Methyl-2-[[2-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Pentanoyl]Amino]Propanoyl]Amino]Propanoyl]Amino]Propanoate
[CAS# 135788-75-9]

Identification

• Name: Methyl 2-Methyl-2-[[2-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Pentanoyl]Amino]Propanoyl]Amino]Propanoyl]Amino]Propanoate
• Synonyms: 2-Methyl-2-[[2-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Pentyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]Propanoic Acid Methyl Ester; 2-[[2-[[(2S)-2-[[(2S,3S)-2-(Benzyloxycarbonylamino)-3-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propionic Acid Methyl Ester; Alanine, 2-Methyl-N-(2-Methyl-N-(-N-((Phenylmethoxy)Carbonyl)-L-Isoleucyl)-L-Alanyl)-, Methyl Ester
• Molecular Formula: C₂₆H₄₀N₄O₇
• Molecular Weight: 520.62
• CAS Registry Number: 135788-75-9
• SMILES: [C@H](C(NC(C(NC(C(=O)OC)(C)C)=O)(C)C)=O)(NC([C@@H](NC(=O)OCC1=CC=CC=C1)[C@H](CC)C)=O)C
• InChI: 1S/C26H40N4O7/c1-9-16(2)19(28-24(35)37-15-18-13-11-10-12-14-18)21(32)27-17(3)20(31)29-25(4,5)22(33)30-26(6,7)23(34)36-8/h10-14,16-17,19H,9,15H2,1-8H3,(H,27,32)(H,28,35)(H,29,31)(H,30,33)/t16-,17-,19-/m0/s1
• InChIKey: WVEMASHKNDJIMG-LNLFQRSKSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 756.517°C at 760 mmHg (Cal.)
• Flash point: 411.327°C (Cal.)