Cyclo(Methyltyrosyl-Isoleucyl-Prolyl-Leucyl)
[CAS# 84255-86-7]

Identification

• Name: Cyclo(Methyltyrosyl-Isoleucyl-Prolyl-Leucyl)
• Synonyms: (2S)-1-[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]-N-[(1S)-1-[[(1R)-1-Formyl-2-(4-Methoxyphenyl)Ethyl]Carbamoyl]-3-Methyl-But-3-Enyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S,3S)-2-Amino-3-Methyl-1-Oxopentyl]-N-[(1S)-1-[[[(1R)-1-Formyl-2-(4-Methoxyphenyl)Ethyl]Amino]-Oxomethyl]-3-Methylbut-3-Enyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]-N-[(2S)-1-[[(2R)-1-(4-Methoxyphenyl)-3-Oxo-Propan-2-Yl]Amino]-4-Methyl-1-Oxo-Pent-4-En-2-Yl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₇H₄₀N₄O₅
• Molecular Weight: 500.64
• CAS Registry Number: 84255-86-7
• SMILES: [C@@H](C=O)(NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](N)[C@H](CC)C)=O)=O)CC(=C)C)=O)CC2=CC=C(OC)C=C2
• InChI: 1S/C27H40N4O5/c1-6-18(4)24(28)27(35)31-13-7-8-23(31)26(34)30-22(14-17(2)3)25(33)29-20(16-32)15-19-9-11-21(36-5)12-10-19/h9-12,16,18,20,22-24H,2,6-8,13-15,28H2,1,3-5H3,(H,29,33)(H,30,34)/t18-,20+,22-,23-,24-/m0/s1
• InChIKey: WEHYOUOEDLCXNV-AFQQNORHSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 751.508°C at 760 mmHg (Cal.)
• Flash point: 408.297°C (Cal.)