Acetyl-Tryptophyl-Isoleucyl-Alanyl-Aminoisobutyryl-Isoleucyl-Valyl-Aminoisobutyryl-Leucyl-Aminoisobutyryl-Proline Methyl Ester
[CAS# 130517-75-8]

Identification

• Name: Acetyl-Tryptophyl-Isoleucyl-Alanyl-Aminoisobutyryl-Isoleucyl-Valyl-Aminoisobutyryl-Leucyl-Aminoisobutyryl-Proline Methyl Ester
• Synonyms: Methyl (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-2-Methyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Pyrrolidine-2-Carboxylate; (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-1-Oxopropyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-2-Methyl-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid Methyl Ester; (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-2-Methyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Pyrrolidine-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₅₇H₉₁N₁₁O₁₂
• Molecular Weight: 1122.41
• CAS Registry Number: 130517-75-8
• SMILES: [C@H]1(C(=O)OC)N(CCC1)C(C(NC([C@@H](NC(C(NC([C@@H](NC([C@@H](NC(C(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)CC2=C[NH]C3=CC=CC=C23)=O)[C@H](CC)C)=O)C)=O)(C)C)=O)[C@H](CC)C)=O)C(C)C)=O)(C)C)=O)CC(C)C)=O)(C)C)=O
• InChI: 1S/C57H91N11O12/c1-18-32(7)43(63-46(71)40(60-35(10)69)28-36-29-58-38-24-21-20-23-37(36)38)48(73)59-34(9)45(70)65-56(13,14)53(78)64-44(33(8)19-2)49(74)62-42(31(5)6)50(75)67-55(11,12)52(77)61-39(27-30(3)4)47(72)66-57(15,16)54(79)68-26-22-25-41(68)51(76)80-17/h20-21,23-24,29-34,39-44,58H,18-19,22,25-28H2,1-17H3,(H,59,73)(H,60,69)(H,61,77)(H,62,74)(H,63,71)(H,64,78)(H,65,70)(H,66,72)(H,67,75)/t32-,33-,34-,39-,40-,41-,42-,43-,44-/m0/s1
• InChIKey: VEUCTMCWBXPPPR-JQRRNLQSSA-N

Properties

• Desity: 1.174g/cm³ (Cal.)
• Boiling point: 1366.465°C at 760 mmHg (Cal.)
• Flash point: 780.21°C (Cal.)