L-Threonyl-L-Phenylalanylglycyl-L-Leucyl-L-Glutaminyl-L-Leucyl-L-alpha-Glutamyl-L-Leucyl-L-Threonine
[CAS# 124774-36-3]

Identification

• Name: L-Threonyl-L-Phenylalanylglycyl-L-Leucyl-L-Glutaminyl-L-Leucyl-L-alpha-Glutamyl-L-Leucyl-L-Threonine
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1,5-Dioxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-[[(1S)-1-[[[(1S,2R)-1-Carboxy-2-Hydroxypropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-1-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₇H₇₆N₁₀O₁₅
• Molecular Weight: 1021.18
• CAS Registry Number: 124774-36-3
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CC1=CC=CC=C1)CC(C)C)CCC(=O)N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(C)C)CCC(=O)O)CC(C)C
• InChI: 1S/C47H76N10O15/c1-23(2)18-31(51-36(61)22-50-40(64)34(21-28-12-10-9-11-13-28)56-46(70)38(49)26(7)58)43(67)52-29(14-16-35(48)60)41(65)54-32(19-24(3)4)44(68)53-30(15-17-37(62)63)42(66)55-33(20-25(5)6)45(69)57-39(27(8)59)47(71)72/h9-13,23-27,29-34,38-39,58-59H,14-22,49H2,1-8H3,(H2,48,60)(H,50,64)(H,51,61)(H,52,67)(H,53,68)(H,54,65)(H,55,66)(H,56,70)(H,57,69)(H,62,63)(H,71,72)/t26-,27-,29+,30+,31+,32+,33+,34+,38+,39+/m1/s1
• InChIKey: CKBCHJFCYGZUBW-AAASIAOPSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1469.884°C at 760 mmHg (Cal.)
• Flash point: 842.755°C (Cal.)