Glutamyl-Glutamyl-Glutamyl-Glutamyl-Tyrosyl-Methionyl-Prolyl-Methionyl-Glutamic Acid
[CAS# 82123-81-7]

Identification

• Name: Glutamyl-Glutamyl-Glutamyl-Glutamyl-Tyrosyl-Methionyl-Prolyl-Methionyl-Glutamic Acid
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-1-(Carboxymethylcarbamoyl)-3-Methylsulfanyl-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-3-Methylsulfanyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-[[(1S)-2-[[(1S)-1-[[(2S)-2-[[[(1S)-1-[(Carboxymethylamino)-Oxomethyl]-3-(Methylthio)Propyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-1-(Carboxymethylcarbamoyl)-3-(Methylthio)Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-3-(Methylthio)Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₆H₆₇N₉O₁₉S₂
• Molecular Weight: 1114.20
• CAS Registry Number: 82123-81-7
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CC1=CC=C(O)C=C1)CCSC)CCC2)C(=O)N[C@H](C(=O)NCC(=O)O)CCSC
• InChI: 1S/C46H67N9O19S2/c1-75-20-17-30(40(68)48-23-38(65)66)52-45(73)33-4-3-19-55(33)46(74)31(18-21-76-2)53-44(72)32(22-24-5-7-25(56)8-6-24)54-43(71)29(12-16-37(63)64)51-42(70)28(11-15-36(61)62)50-41(69)27(10-14-35(59)60)49-39(67)26(47)9-13-34(57)58/h5-8,26-33,56H,3-4,9-23,47H2,1-2H3,(H,48,68)(H,49,67)(H,50,69)(H,51,70)(H,52,73)(H,53,72)(H,54,71)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: XZDCOGIXDVHXRI-DKTXOJPGSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 1653.266°C at 760 mmHg (Cal.)
• Flash point: 953.661°C (Cal.)